Crystallography Open Database
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Searching journal of publication like 'Journal of medicinal chemistry'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1552562 | CIF | C10 H12 F2 N2 O5 | P 21 21 21 | 5.8735; 13.5166; 14.1374 90; 90; 90 | 1122.36 | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry, 2019, 62, 6346-6362 |
| 1507789 | CIF | C10 H12 F3 N3 O5 Pt | P 1 21/c 1 | 18.336; 7.1871; 10.8106 90; 100.556; 90 | 1400.5 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
| 1552560 | CIF | C10 H13 F N2 O5 | P 32 2 1 | 6.6465; 6.6465; 43.3632 90; 90; 120 | 1658.97 | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry, 2019, 62, 6346-6362 |
| 5000285 | CIF | C10 H15 Br2 Cl3 | P 21 21 21 | 6.115; 12.456; 19.188 90; 90; 90 | 1461.52 | Fuller, Richard W.; Cardellina, John H.; Kato, Yoko; Brinen, Linda S.; Clardy, Jon; Snader, Kenneth M.; Boyd, Michael R. A pentahalogenated monoterpene from the red alga Portieria hornemannii produces a novel cytotoxicity profile against a diverse panel of human tumor cell lines Journal of Medicinal Chemistry, 1992, 35, 3007-3011 |
| 1507788 | CIF | C10 H15 N3 O5 Pt | P c a 21 | 9.4898; 15.218; 8.9436 90; 90; 90 | 1291.6 | Wilson, Justin J.; Lippard, Stephen J. In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands. Journal of medicinal chemistry, 2012, 55, 5326-5336 |
| 1516003 | CIF | C10 H17 N5 O6 | P 21 21 21 | 7.1785; 10.0813; 17.096 90; 90; 90 | 1237.2 | Clinch, Keith; Watt, Derek K.; Dixon, Rachel A.; Baars, Sylvia M.; Gainsford, Graeme J.; Tiwari, Ashish; Schwarz, Günter; Saotome, Yas; Storek, Michael; Belaidi, Abdel A.; Santamaria-Araujo, Jose A Synthesis of cyclic pyranopterin monophosphate, a biosynthetic intermediate in the molybdenum cofactor pathway. Journal of medicinal chemistry, 2013, 56, 1730-1738 |
| 1505035 | CIF | C10 H4 O2 S2 | P 1 21/c 1 | 8.96; 14.8156; 6.7569 90; 102.962; 90 | 874.11 | Hyatt, Janice L.; Wadkins, Randy M.; Tsurkan, Lyudmila; Hicks, Latorya D.; Hatfield, M. Jason; Edwards, Carol C.; Ross, 2nd, Charles R; Cantalupo, Stephanie A.; Crundwell, Guy; Danks, Mary K.; Guy, R. Kip; Potter, Philip M. Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. Journal of medicinal chemistry, 2007, 50, 5727-5734 |
| 1508515 | CIF | C10.5 H17 Cl2 N2 O4.5 Pt | P 1 21/c 1 | 13.66; 9.867; 23.937 90; 98.52; 90 | 3190.7 | Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation. Journal of medicinal chemistry, 2012, 55, 7571-7582 |
| 1552561 | CIF | C11 H16 F2 N5 O4.5 | P 1 21 1 | 10.20373; 6.97368; 18.69692 90; 96.8278; 90 | 1320.99 | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry, 2019, 62, 6346-6362 |
| 1518628 | CIF | C11 H17 Cl F N O Pt S | P 1 21/c 1 | 5.9315; 12.1005; 19.7 90; 103.067; 90 | 1377.34 | Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes. Journal of medicinal chemistry, 2015, 58, 1320-1336 |
| 1503666 | CIF | C11 H20 N2 O2 | P 1 21 1 | 11.4279; 9.9784; 16.245 90; 93.967; 90 | 1848.01 | Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J. Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors. Journal of medicinal chemistry, 2009, 52, 3591-3595 |
| 1553255 | CIF | C12 H11 N O3 | P 21 21 21 | 6.917; 8.4769; 18.1729 90; 90; 90 | 1065.56 | Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry, 2018, 61, 4608-4627 |
| 1507499 | CIF | C12 H13 Br Cl N3 S | P 1 21/c 1 | 21.335; 9.315; 14.491 90; 102.995; 90 | 2806.12 | Schröder, Jörg; Henke, Andreas; Wenzel, Herbert; Brandstetter, Hans; Stammler, Hans G.; Stammler, Anja; Pfeiffer, Wolf D.; Tschesche, Harald Structure-Based Design and Synthesis of Potent Matrix Metalloproteinase Inhibitors Derived from a 6H-1,3,4-Thiadiazine Scaffold Journal of Medicinal Chemistry, 2001, 44, 3231 |
| 1519611 | CIF | C12 H15 F N6 O4 | P 43 | 7.3545; 7.3545; 27.835 90; 90; 90 | 1505.6 | Yang, Qinghua; Kang, Jinfeng; Zheng, Liyun; Wang, Xue-Jun; Wan, Na; Wu, Jie; Qiao, Yan; Niu, Pengfei; Wang, Sheng-Qi; Peng, Youmei; Wang, Qingduan; Yu, Wenquan; Chang, Junbiao Synthesis and biological evaluation of 4-substituted fluoronucleoside analogs for the treatment of hepatitis B virus infection. Journal of medicinal chemistry, 2015, 58, 3693-3703 |
| 1503455 | CIF | C12 H16 Br N3 O2 S | P 1 21/c 1 | 10.18411; 14.96067; 9.13052 90; 99.2862; 90 | 1372.9 | Baud, Matthias G. J.; Leiser, Thomas; Haus, Patricia; Samlal, Sharon; Wong, Ai Ching; Wood, Robert J.; Petrucci, Vanessa; Gunaratnam, Mekala; Hughes, Siobhan M.; Buluwela, Lakjaya; Turlais, Fabrice; Neidle, Stephen; Meyer-Almes, Franz-Josef; White, Andrew J. P.; Fuchter, Matthew J. Defining the Mechanism of Action and Enzymatic Selectivity of Psammaplin A against Its Epigenetic Targets. Journal of medicinal chemistry, 2012, 55, 1731-1750 |
| 1566550 | CIF | C12 H16 N2 O2 | P -1 | 7.7366; 7.9072; 10.7395 99.872; 102.594; 113.64 | 562.21 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1553271 | CIF | C12 H17 N5 O S | P 1 21/c 1 | 11.544; 13.204; 10.086 90; 112.081; 90 | 1424.6 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1559415 | CIF | C12 H18 O2 Si | P 1 21/c 1 | 14.814; 7.972; 10.798 90; 100.7; 90 | 1253 | Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens Sila-Ibuprofen. Journal of medicinal chemistry, 2020 |
| 1553267 | CIF | C12 H22 Cl Cu N5 O4 S | P -1 | 9.2626; 9.5087; 11.0617 89.565; 76.519; 67.742 | 873.29 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1508820 | CIF | C12 H22 Cl2 N2 O8 Pt | P -1 | 8.2185; 10.0375; 12.4165 67.002; 71.136; 84.577 | 891.63 | Varbanov, Hristo P.; Jakupec, Michael A.; Roller, Alexander; Jensen, Frank; Galanski, Markus; Keppler, Bernhard K. Theoretical Investigations and Density Functional Theory Based Quantitative Structure-Activity Relationships Model for Novel Cytotoxic Platinum(IV) Complexes. Journal of medicinal chemistry, 2013, 56, 330-344 |
| 1505036 | CIF | C12 H26 Cl2 N2 O9 Pt | P n a 21 | 23.5231; 10.6395; 8.1822 90; 90; 90 | 2047.79 | Reithofer, Michael R.; Valiahdi, Seied M.; Jakupec, Michael A.; Arion, Vladimir B.; Egger, Alexander; Galanski, Markus; Keppler, Bernhard K. Novel di- and tetracarboxylatoplatinum(IV) complexes. Synthesis, characterization, cytotoxic activity, and DNA platination. Journal of medicinal chemistry, 2007, 50, 6692-6699 |
| 1561876 | CIF | C13 H11 Cl Cu N4 S2 | P -1 | 8.6462; 9.7989; 10.1011 68.887; 71.065; 82.137 | 755 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
| 1507655 | CIF | C13 H15 Fe N O Se | C 1 2/c 1 | 17.983; 7.4102; 19.235 90; 93.649; 90 | 2558 | Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties. Journal of medicinal chemistry, 2012, 55, 4652-4663 |
| 1557184 | CIF | C13 H15 N3 O5 | P 21 21 21 | 8.4194; 8.5433; 19.1641 90; 90; 90 | 1378.46 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
| 1552488 | CIF | C13 H15 N3 O5 S | P 1 21/c 1 | 12.3726; 11.22; 10.9487 90; 99.0665; 90 | 1500.92 | Shao, Xuwei; AbdelKhalek, Ahmed; Abutaleb, Nader S.; Velagapudi, Uday Kiran; Yoganathan, Sabesan; Seleem, Mohamed N.; Talele, Tanaji T. Chemical Space Exploration around Thieno[3,2-<i>d</i>]pyrimidin-4(3<i>H</i>)-one Scaffold Led to a Novel Class of Highly Active <i>Clostridium difficile</i> Inhibitors. Journal of medicinal chemistry, 2019 |
| 1553269 | CIF | C13 H18 Cl Cu N5 O S | C 1 2/c 1 | 15.7566; 14.2967; 14.2703 90; 92.971; 90 | 3210.3 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1559416 | CIF | C13 H18 O2 | P 1 21/c 1 | 14.465; 7.815; 10.435 90; 99.66; 90 | 1162.9 | Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens Sila-Ibuprofen. Journal of medicinal chemistry, 2020 |
| 1552490 | CIF | C13 H18 O4 | P 1 21 1 | 5.7618; 19.4824; 11.8204 90; 90.0232; 90 | 1326.88 | Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT). Journal of medicinal chemistry, 2019 |
| 1553275 | CIF | C13 H19 N5 O S | P 1 21/c 1 | 22.7776; 6.8585; 9.88 90; 98.889; 90 | 1524.92 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1518236 | CIF | C13 H27 N O4 S | P 1 21 1 | 6.0994; 22.475; 11.962 90; 91.895; 90 | 1638.9 | Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A. Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles. Journal of medicinal chemistry, 2014, 57, 9644-9657 |
| 1505041 | CIF | C130 H133 Br4 Cl8 N16 O3.5 Os4 | P -1 | 13.8319; 14.1376; 18.3912 98.511; 107.338; 102.012 | 3271.8 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
| 1516882 | CIF | C14 H13 I O2 | P b c a | 7.8201; 15.7081; 21.1791 90; 90; 90 | 2601.6 | Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains. Journal of medicinal chemistry, 2014, 57, 6030-6042 |
| 1516883 | CIF | C14 H13 I O2 | P n a 21 | 6.1079; 7.2239; 28.327 90; 90; 90 | 1249.9 | Yang, Yanping; Cui, Mengchao; Zhang, Xiaoyang; Dai, Jiapei; Zhang, Zhiyong; Lin, Chunping; Guo, Yuzhi; Liu, Boli Radioiodinated Benzyloxybenzene Derivatives: A Class of Flexible Ligands Target to β-Amyloid Plaques in Alzheimer's Brains. Journal of medicinal chemistry, 2014, 57, 6030-6042 |
| 1503662 | CIF | C14 H13 N O3 S2 | P c a 21 | 13.516; 9.108; 22.558 90; 90; 90 | 2777 | Agrawal, Arpita; de Oliveira, César Augusto F; Cheng, Yuhui; Jacobsen, Jennifer A.; McCammon, J. Andrew; Cohen, Seth M. Thioamide hydroxypyrothiones supersede amide hydroxypyrothiones in potency against anthrax lethal factor. Journal of medicinal chemistry, 2009, 52, 1063-1074 |
| 1505016 | CIF | C14 H14 Cl4 Cu2 N10 | P 1 21/a 1 | 8.346; 14.28; 8.376 90; 93.43; 90 | 996.5 | Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells. Journal of medicinal chemistry, 2007, 50, 1916-1924 |
| 1506349 | CIF | C14 H16 Cu Fe N10 O5 S | P 1 21/n 1 | 13.157; 13.641; 14.205 90; 115.98; 90 | 2291.8 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
| 1505019 | CIF | C14 H19.5 Cl2 N Na O6.75 | P 1 21 1 | 9.554; 39.491; 9.8412 90; 90.729; 90 | 3712.75 | Llinàs, Antonio; Burley, Jonathan C.; Box, Karl J.; Glen, Robert C.; Goodman, Jonathan M. Diclofenac solubility: independent determination of the intrinsic solubility of three crystal forms. Journal of medicinal chemistry, 2007, 50, 979-983 |
| 1553274 | CIF | C14 H21 N5 O S | P 1 21/c 1 | 6.1236; 7.95; 30.956 90; 92.419; 90 | 1505.68 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1552491 | CIF | C14 H22 O5 | P 21 21 21 | 5.7488; 9.3963; 27.2172 90; 90; 90 | 1470.2 | Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT). Journal of medicinal chemistry, 2019 |
| 1508918 | CIF | C14 H24 Cu N6 S2 | P -1 | 7.58; 12.83; 18.298 98.489; 99.605; 91.102 | 1733.6 | Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G. In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes. Journal of medicinal chemistry, 2013, 56, 722-734 |
| 1503665 | CIF | C14 H24 N2 O2 | P 21 21 21 | 10.2116; 10.8607; 13.1256 90; 90; 90 | 1455.7 | Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J. Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors. Journal of medicinal chemistry, 2009, 52, 3591-3595 |
| 1557186 | CIF | C15 H14 N4 O2 | P 21 21 21 | 5.8178; 16.9835; 28.2863 90; 90; 90 | 2794.9 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
| 1566736 | CIF | C15 H14 O3 | P 21 21 21 | 5.5437; 8.4551; 52.42 90; 90; 90 | 2457.06 | Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor. Journal of medicinal chemistry, 2022, 65, 4832-4853 |
| 1529429 | CIF | C15 H17 F3 O3 | P 21 21 21 | 8.511; 11.945; 14.173 90; 90; 90 | 1440.9 | Yang, Zhong-Jin; Ge, Wei-Zhi; Li, Qiu-Ying; Lu, Yaxin; Gong, Jian-Miao; Kuang, Bei-Jia; Xi, Xiaonan; Wu, Haiting; Zhang, Quan; Chen, Yue Syntheses and Biological Evaluation of Costunolide, Parthenolide, and Their Fluorinated Analogues. Journal of medicinal chemistry, 2015, 58, 7007-7020 |
| 1517410 | CIF | C15 H20 O3 | P 21 21 21 | 6.1945; 10.289; 21.907 90; 90; 90 | 1396.2 | Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol. Journal of medicinal chemistry, 2014, 57, 7098-7112 |
| 1565895 | CIF | C15 H20 O4 | P 21 21 21 | 8.2975; 12.0102; 13.9497 90; 90; 90 | 1390.15 | Liu, Xingchen; Wang, Cheng; Li, Shang; Qu, Lailiang; Yin, Fucheng; Lu, Dehua; Luo, Heng; Chen, Xinye; Luo, Zhongwen; Cui, Ningjie; Wang, Xiaobing; Kong, Lingyi Parthenolide Derivatives as PKM2 Activators Showing Potential in Colorectal Cancer. Journal of medicinal chemistry, 2021, 64, 17304-17325 |
| 1553268 | CIF | C15 H23 Cl Cu N6 O2 S | P 1 21/c 1 | 9.3959; 19.8889; 10.9744 90; 108.366; 90 | 1946.37 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1517409 | CIF | C15 H23 N O3 | P 21 21 21 | 11.012; 11.015; 12.183 90; 90; 90 | 1477.8 | Long, Jing; Zhang, Shan-Feng; Wang, Pan-Pan; Zhang, Xue-Mei; Yang, Zhong-Jin; Zhang, Quan; Chen, Yue Total syntheses of parthenolide and its analogues with macrocyclic stereocontrol. Journal of medicinal chemistry, 2014, 57, 7098-7112 |
| 1518235 | CIF | C15 H33 N O5 S | C 1 2 1 | 17.9092; 6.1043; 17.9815 90; 102.833; 90 | 1916.7 | Maolanon, Alex R.; Villadsen, Jesper S.; Christensen, Niels J.; Hoeck, Casper; Friis, Tina; Harris, Pernille; Gotfredsen, Charlotte H.; Fristrup, Peter; Olsen, Christian A. Methyl effect in azumamides provides insight into histone deacetylase inhibition by macrocycles. Journal of medicinal chemistry, 2014, 57, 9644-9657 |
| 1502668 | CIF | C16 H10 N3 | P 1 21/c 1 | 15.046; 9.845; 16.267 90; 98.773; 90 | 2381.4 | Tan, Caiping; Lai, Sensen; Wu, Shouhai; Hu, Sheng; Zhou, Lingjun; Chen, Yu; Wang, Minxu; Zhu, Yiping; Lian, Wu; Peng, Wenlie; Ji, Liangnian; Xu, Anlong Nuclear permeable ruthenium(II) β-carboline complexes induce autophagy to antagonize mitochondrial-mediated apoptosis. Journal of medicinal chemistry, 2010, 53, 7613-7624 |
| 1529317 | CIF | C16 H14 I N5 | P 1 21 1 | 8.499; 8.394; 11.73 90; 104.19; 90 | 811.292 | Scheuermann, Thomas H.; Stroud, Daniel; Sleet, Christopher E.; Bayeh, Liela; Shokri, Cameron; Wang, Hanzhi; Caldwell, Charles G.; Longgood, Jamie; MacMillan, John B.; Bruick, Richard K.; Gardner, Kevin H.; Tambar, Uttam K. Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2. Journal of medicinal chemistry, 2015, 58, 5930-5941 |
| 1501663 | CIF | C16 H14 N4 O S | P 1 21/c 1 | 16.7856; 5.4114; 16.1237 90; 100.73; 90 | 1438.97 | Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M. Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein. Journal of medicinal chemistry, 2011, 54, 5878-5889 |
| 1518891 | CIF | C16 H15 N O2 S | P 21 21 21 | 9.29143; 10.36338; 14.7858 90; 90; 90 | 1423.73 | Yoneda, Tetsuya; Tabata, Hidetsugu; Tasaka, Tomohiko Tasaka; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki N-Benzoyl-1,5-benzothiazepine and Its S-Oxide as Vasopres-sin Receptor Ligands: Insight into the Active Stereochemistry around the 7-Membered Ring. Journal of medicinal chemistry, 2015, 150324093458001 |
| 1553257 | CIF | C16 H20 O5 | P 21 21 21 | 6.9288; 7.9172; 52.844 90; 90; 90 | 2898.8 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
| 1553258 | CIF | C16 H20 O5 | P 43 21 2 | 8.0784; 8.0784; 45.237 90; 90; 90 | 2952.2 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
| 1553259 | CIF | C16 H20 O5 | P 1 21 1 | 7.7904; 11.4929; 16.2869 90; 103.739; 90 | 1416.5 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
| 1503671 | CIF | C16 H22 Ga N11 O4 S2 | P -1 | 9.3441; 9.7491; 12.9501 102.437; 95.239; 96.569 | 1136.26 | Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K. Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation. Journal of medicinal chemistry, 2009, 52, 5032-5043 |
| 1553270 | CIF | C16 H23 N5 O2 S | P 1 21/c 1 | 13.3622; 5.8899; 21.414 90; 91.631; 90 | 1684.6 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1517245 | CIF | C16 H28 N4 O10 Pt | P 21 21 21 | 8.9059; 11.2218; 22.076 90; 90; 90 | 2206.3 | Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K. A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs. Journal of medicinal chemistry, 2014, 57, 6751-6764 |
| 1517246 | CIF | C16 H31 N3 O11 Pt | P 1 21/n 1 | 13.8623; 8.618; 18.7397 90; 97.841; 90 | 2217.81 | Varbanov, Hristo P.; Göschl, Simone; Heffeter, Petra; Theiner, Sarah; Roller, Alexander; Jensen, Frank; Jakupec, Michael A.; Berger, Walter; Galanski, Markus; Keppler, Bernhard K. A Novel Class of Bis- and Tris-Chelate Diam(m)inebis(dicarboxylato)platinum(IV) Complexes as Potential Anticancer Prodrugs. Journal of medicinal chemistry, 2014, 57, 6751-6764 |
| 1502665 | CIF | C16 H38 Cl2 N6 O2 Pt | P -1 | 7.336; 8.228; 10.622 83.82; 103.76; 103.21 | 605.3 | Marzano, Cristina; Mazzega Sbovata, Silvia; Gandin, Valentina; Colavito, Davide; Del Giudice, Elda; Michelin, Rino A.; Venzo, Alfonso; Seraglia, Roberta; Benetollo, Franco; Schiavon, Mariano; Bertani, Roberta A new class of antitumor trans-amine-amidine-Pt(II) cationic complexes: influence of chemical structure and solvent on in vitro and in vivo tumor cell proliferation. Journal of medicinal chemistry, 2010, 53, 6210-6227 |
| 1552566 | CIF | C17 H17 Cl F3 N5 S | P -1 | 6.853; 9.4417; 14.5253 95.002; 90.639; 104.895 | 904.26 | Ogasawara, Daisuke; Ichu, Taka-Aki; Jing, Hui; Hulce, Jonathan J.; Reed, Alex; Ulanovskaya, Olesya A.; Cravatt, Benjamin F. Discovery and Optimization of Selective and in Vivo Active Inhibitors of the Lysophosphatidylserine Lipase α/β-Hydrolase Domain-Containing 12 (ABHD12). Journal of medicinal chemistry, 2019, 62, 1643-1656 |
| 1502659 | CIF | C17 H18 N4 O2 S | P -1 | 8.187; 10.274; 11.169 116.031; 92.445; 108.955 | 779.2 | Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A. (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. Journal of medicinal chemistry, 2010, 53, 5186-5196 |
| 5000128 | CIF | C17 H19 Cl F3 N O | P c a b | 10.457; 10.387; 32.345 90; 90; 90 | 3513.21 | Robertson, David W.; Jones, Noel D.; Swartzendruber, John K.; Yang, Kuo S.; Wong, David T. Molecular structure of fluoxetine hydrochloride, a highly selective serotonin-uptake inhibitor Journal of Medicinal Chemistry, 1988, 31, 185-189 |
| 1501664 | CIF | C17 H24 Br N O4 Si | P 21 21 21 | 6.5913; 15.0012; 20.319 90; 90; 90 | 2009.1 | Xin, Qisheng; Fan, Houxing; Guo, Bin; He, Huili; Gao, Suo; Wang, Hui; Huang, Yanqin; Yang, Yushe Design, synthesis, and structure-activity relationship studies of highly potent novel benzoxazinyl-oxazolidinone antibacterial agents. Journal of medicinal chemistry, 2011, 54, 7493-7502 |
| 1503664 | CIF | C17 H26 N2 O2 | P 1 21 1 | 6.6457; 10.369; 11.3174 90; 92.645; 90 | 779.04 | Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J. Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors. Journal of medicinal chemistry, 2009, 52, 3591-3595 |
| 1504347 | CIF | C17 H28 Cl2 N3 O P Ru | P 1 n 1 | 6.6343; 20.033; 15.188 90; 97.73; 90 | 2000.2 | Casini, Angela; Gabbiani, Chiara; Sorrentino, Francesca; Rigobello, Maria Pia; Bindoli, Alberto; Geldbach, Tilmann J.; Marrone, Alessandro; Re, Nazzareno; Hartinger, Christian G.; Dyson, Paul J.; Messori, Luigi Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium(II)-arene compounds. Journal of medicinal chemistry, 2008, 51, 6773-6781 |
| 1558788 | CIF | C17.75 H23 F N3 O4.75 S | P 1 21 1 | 12.14978; 26.7382; 23.8054 90; 94.0929; 90 | 7713.78 | Zhao, Hongyi; Wang, Bin; Fu, Lei; Li, Gang; Lu, Haijia; Liu, Yuke; Sheng, Li; Li, Yan; Zhang, Baoxi; Lu, Yang; Ma, Chen; Huang, Haihong; Zhang, Dongfeng; Lu, Yu The Discovery of a Conformationally Constrained Oxazolidinone with Improved Safety and Efficacy Profiles for the Treatment of Multidrug-Resistant Tuberculosis. Journal of medicinal chemistry, 2020 |
| 1529467 | CIF | C18 H15 N3 | P 1 21/c 1 | 15.885; 7.4464; 25.627 90; 104.762; 90 | 2931.3 | Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease. Journal of medicinal chemistry, 2015, 58, 6972-6983 |
| 1501665 | CIF | C18 H17 Cl2 F N4 O | P 1 21/c 1 | 8.1141; 10.4273; 22.6565 90; 108.576; 90 | 1817.1 | Yu, Wenquan; Goddard, Cally; Clearfield, Elizabeth; Mills, Courtney; Xiao, Tong; Guo, Haitao; Morrey, John D.; Motter, Neil E.; Zhao, Kang; Block, Timothy M.; Cuconati, Andrea; Xu, Xiaodong Design, synthesis, and biological evaluation of triazolo-pyrimidine derivatives as novel inhibitors of hepatitis B virus surface antigen (HBsAg) secretion. Journal of medicinal chemistry, 2011, 54, 5660-5670 |
| 1508916 | CIF | C18 H18 Cu N6 S2 | P b c n | 31.372; 7.5677; 7.9918 90; 90; 90 | 1897.4 | Palanimuthu, Duraippandi; Shinde, Sridevi Vijay; Somasundaram, Kumaravel; Samuelson, Ashoka G. In Vitro and in Vivo Anticancer Activity of Copper Bis(thiosemicarbazone) Complexes. Journal of medicinal chemistry, 2013, 56, 722-734 |
| 1501662 | CIF | C18 H18 N4 O4 S | P 1 21/n 1 | 13.6739; 17.3161; 14.9225 90; 98.051; 90 | 3498.5 | Hall, Matthew D.; Brimacombe, Kyle R.; Varonka, Matthew S.; Pluchino, Kristen M.; Monda, Julie K.; Li, Jiayang; Walsh, Martin J.; Boxer, Matthew B.; Warren, Timothy H.; Fales, Henry M.; Gottesman, Michael M. Synthesis and structure-activity evaluation of isatin-β-thiosemicarbazones with improved selective activity toward multidrug-resistant cells expressing P-glycoprotein. Journal of medicinal chemistry, 2011, 54, 5878-5889 |
| 1558935 | CIF | C18 H19 N3 O3 | P 1 21/n 1 | 13.4672; 5.79643; 20.7574 90; 97.299; 90 | 1607.23 | Seal, Jonathan T.; Atkinson, Stephen J.; Aylott, Helen; Bamborough, Paul; Chung, Chun-Wa; Copley, Royston C. B.; Gordon, Laurie; Grandi, Paola; Gray, James R. J.; Harrison, Lee A.; Hayhow, Thomas G.; Lindon, Matthew; Messenger, Cassie; Michon, Anne-Marie; Mitchell, Darren; Preston, Alex; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Wall, Ian D.; Watson, Robert J.; Woolven, James M.; Demont, Emmanuel H. The Optimization of a Novel, Weak Bromo and Extra Terminal Domain (BET) Bromodomain Fragment Ligand to a Potent and Selective Second Bromodomain (BD2) Inhibitor. Journal of medicinal chemistry, 2020 |
| 1502660 | CIF | C18 H20 N4 O2 S | P 1 21/n 1 | 8.7051; 16.7415; 11.6695 90; 98.996; 90 | 1679.75 | Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A. (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. Journal of medicinal chemistry, 2010, 53, 5186-5196 |
| 1503667 | CIF | C18 H20 O5 | P 1 21/c 1 | 10.834; 11.623; 13.511 90; 104; 90 | 1650.8 | Messaoudi, Samir; Tréguier, Bret; Hamze, Abdallah; Provot, Olivier; Peyrat, Jean-François; De Losada, Jordi Rodrigo; Liu, Jian-Miao; Bignon, Jérôme; Wdzieczak-Bakala, Joanna; Thoret, Sylviane; Dubois, Joëlle; Brion, Jean-Daniel; Alami, Mouâd Isocombretastatins a versus combretastatins a: the forgotten isoCA-4 isomer as a highly promising cytotoxic and antitubulin agent. Journal of medicinal chemistry, 2009, 52, 4538-4542 |
| 1553272 | CIF | C18 H21 N5 O S | P 1 21/n 1 | 7.1287; 15.0536; 16.4704 90; 97.81; 90 | 1751.09 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1505685 | CIF | C18 H24 B2 F8 N6 Ru | P 1 21/c 1 | 8.4268; 13.5307; 19.9593 90; 91.305; 90 | 2275.2 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
| 1502667 | CIF | C18 H26 B10 O | P 1 21/n 1 | 17.7571; 6.5335; 18.0351 90; 95.656; 90 | 2082.2 | Beer, Michael L.; Lemon, Jennifer; Valliant, John F. Preparation and evaluation of carborane analogues of tamoxifen. Journal of medicinal chemistry, 2010, 53, 8012-8020 |
| 1508253 | CIF | C18 H27 F2 N O5 | C 1 2 1 | 13.6384; 7.1514; 19.5985 90; 101.048; 90 | 1876.09 | Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection. Journal of medicinal chemistry, 2012, 55, 6061-6075 |
| 1505683 | CIF | C18 H28 Cl2 N4 O Ru | P -1 | 7.8903; 9.5995; 14.1039 78.964; 87.859; 86.905 | 1046.59 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
| 1553263 | CIF | C18.75 H26 Cl Ir N5 O0.75 | P b c a | 11.78544; 14.43434; 23.04719 90; 90; 90 | 3920.67 | Chen, Feng; Moat, John; McFeely, Daniel; Clarkson, Guy; Hands-Portman, Ian J; Furner-Pardoe, Jessica P; Harrison, Freya; Dowson, Christopher G.; Sadler, Peter J. Biguanide Iridium(III) Complexes with Potent Antimicrobial Activity. Journal of medicinal chemistry, 2018, 61, 7330-7344 |
| 1552559 | CIF | C19 H12 Br N O4 | P b c a | 7.513; 13.49; 32.45 90; 90; 90 | 3289 | Kundu, Tania; Bhattacharjee, Bharati; Hazra, Subhenjit; Ghosh, Arnab K.; Bandyopadhyay, Debasish; Pramanik, Animesh Synthesis and Biological Assessment of Pyrrolobenzoxazine Scaffold as a Potent Antioxidant. Journal of medicinal chemistry, 2019, 62, 6315-6329 |
| 1558719 | CIF | C19 H16 F6 N2 O3 | P 1 21/n 1 | 9.449; 19.372; 21.3178 90; 97.644; 90 | 3867.5 | Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. Journal of medicinal chemistry, 2020 |
| 1504344 | CIF | C19 H19 Cl2 N3 O3 | P -1 | 9.12; 10.251; 11.299 71.757; 74.66; 80.836 | 964.1 | Magedov, Igor V.; Manpadi, Madhuri; Ogasawara, Marcia A.; Dhawan, Adriana S.; Rogelj, Snezna; Van Slambrouck, Severine; Steelant, Wim F. A.; Evdokimov, Nikolai M.; Uglinskii, Pavel Y.; Elias, Eerik M.; Knee, Erica J.; Tongwa, Paul; Antipin, Mikhail Yu; Kornienko, Alexander Structural simplification of bioactive natural products with multicomponent synthesis. 2. antiproliferative and antitubulin activities of pyrano[3,2-c]pyridones and pyrano[3,2-c]quinolones. Journal of medicinal chemistry, 2008, 51, 2561-2570 |
| 1553253 | CIF | C19 H23 Cl F N O4 S | P 1 21/c 1 | 22.01; 9.223; 9.454 90; 100.101; 90 | 1889.4 | Focken, Thilo; Chowdhury, Sultan; Zenova, Alla; Grimwood, Michael E.; Chabot, Christine; Sheng, Tao; Hemeon, Ivan; Decker, Shannon M.; Wilson, Michael; Bichler, Paul; Jia, Qi; Sun, Shaoyi; Young, Clint; Lin, Sophia; Goodchild, Samuel J.; Shuart, Noah G.; Chang, Elaine; Xie, Zhiwei; Li, Bowen; Khakh, Kuldip; Bankar, Girish; Waldbrook, Matthew; Kwan, Rainbow; Nelkenbrecher, Karen; Karimi Tari, Parisa; Chahal, Navjot; Sojo, Luis; Robinette, C. Lee; White, Andrew D.; Chen, Chien-An; Zhang, Yi; Pang, Jodie; Chang, Jae H.; Hackos, David H.; Johnson, Jr, J P; Cohen, Charles J.; Ortwine, Daniel F.; Sutherlin, Daniel P.; Dehnhardt, Christoph M.; Safina, Brian S. Design of Conformationally Constrained Acyl Sulfonamide Isosteres: Identification of N-([1,2,4]Triazolo[4,3- a]pyridin-3-yl)methane-sulfonamides as Potent and Selective hNa<sub>V</sub>1.7 Inhibitors for the Treatment of Pain. Journal of medicinal chemistry, 2018, 61, 4810-4831 |
| 1553277 | CIF | C19 H24 Cl Cu N5 O2 S | P 1 21/c 1 | 16.5043; 17.7857; 7.1311 90; 96.241; 90 | 2080.9 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1506804 | CIF | C19 H27 F N2 O3 | P 21 21 21 | 9.907; 10.077; 19.678 90; 90; 90 | 1964.51 | Saitton, Stina; Del Tredici, Andria L.; Mohell, Nina; Vollinga, Roeland C.; Boström, Dan; Kihlberg, Jan; Luthman, Kristina Design, synthesis and evaluation of a PLG tripeptidomimetic based on a pyridine scaffold. Journal of medicinal chemistry, 2004, 47, 6595-6602 |
| 1502673 | CIF | C19 H27 N4 O2.5 | C 1 2/c 1 | 13.2127; 14.571; 37.9181 90; 94.572; 90 | 7276.8 | Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry, 2010, 53, 2324-2328 |
| 1502666 | CIF | C19 H28 B10 O | C 1 2 1 | 24.701; 6.5249; 18.081 90; 131.621; 90 | 2178.5 | Beer, Michael L.; Lemon, Jennifer; Valliant, John F. Preparation and evaluation of carborane analogues of tamoxifen. Journal of medicinal chemistry, 2010, 53, 8012-8020 |
| 1502674 | CIF | C19 H28 N4 O3 | P -1 | 7.3381; 10.1087; 13.655 74.375; 75.612; 70.157 | 903.66 | Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry, 2010, 53, 2324-2328 |
| 1506344 | CIF | C19 H29 N O5 | P 1 21 1 | 6.866; 19.559; 7.04 90; 97.132; 90 | 938.1 | Simoni, Daniele; Rossi, Marcello; Bertolasi, Valerio; Roberti, Marinella; Pizzirani, Daniela; Rondanin, Riccardo; Baruchello, Riccardo; Invidiata, Francesco Paolo; Tolomeo, Manlio; Grimaudo, Stefania; Merighi, Stefania; Varani, Katia; Gessi, Stefania; Borea, Pier Andrea; Marino, Silvia; Cavallini, Sabrina; Bianchi, Clementina; Siniscalchi, Anna Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter. Journal of medicinal chemistry, 2005, 48, 3337-3343 |
| 1504346 | CIF | C19 H31 Cl3 N2 O | P 1 21 1 | 10.3558; 6.8232; 14.7816 90; 94.469; 90 | 1041.29 | Mahaney, Paige E.; Gavrin, Lori K.; Trybulski, Eugene J.; Stack, Gary P.; Vu, T. An; Cohn, Stephen T.; Ye, Fei; Belardi, Justin K.; Santilli, Arthur A.; Sabatucci, Joseph P.; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Leventhal, Liza; Koury, Elizabeth J.; Zhang, Yingru; Mugford, Cheryl A.; Ho, Douglas M.; Rosenzweig-Lipson, Sharon J; Platt, Brian; Smith, Valerie A.; Deecher, Darlene C. Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors. Journal of medicinal chemistry, 2008, 51, 4038-4049 |
| 1504343 | CIF | C20 H14 Cl F N2 O5 | P 21 21 21 | 5.32926; 10.77905; 31.3253 90; 90; 90 | 1799.46 | Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. Journal of medicinal chemistry, 2008, 51, 2227-2243 |
| 1504342 | CIF | C20 H15 Cl N2 O5 | P 21 21 21 | 5.3438; 10.7546; 32.137 90; 90; 90 | 1846.9 | Crosignani, Stefano; Page, Patrick; Missotten, Marc; Colovray, Véronique; Cleva, Christophe; Arrighi, Jean-François; Atherall, John; Macritchie, Jackie; Martin, Thierry; Humbert, Yves; Gaudet, Marilène; Pupowicz, Doris; Maio, Maurizio; Pittet, Pierre-André; Golzio, Lucia; Giachetti, Claudio; Rocha, Cynthia; Bernardinelli, Gérald; Filinchuk, Yaroslav; Scheer, Alexander; Schwarz, Matthias K.; Chollet, André Discovery of a new class of potent, selective, and orally bioavailable CRTH2 (DP2) receptor antagonists for the treatment of allergic inflammatory diseases. Journal of medicinal chemistry, 2008, 51, 2227-2243 |
| 1562964 | CIF | C20 H17 Cl2 N3 O3 | P 1 21/n 1 | 10.138; 14.487; 25.836 90; 96.065; 90 | 3773 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
| 1529468 | CIF | C20 H17 N3 | P 1 21/c 1 | 17.171; 7.611; 25.394 90; 95.737; 90 | 3302.1 | Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease. Journal of medicinal chemistry, 2015, 58, 6972-6983 |
| 1565894 | CIF | C20 H19 N O3 | P 1 21/c 1 | 17.0295; 10.2484; 9.8976 90; 103.468; 90 | 1679.88 | Singh, Neelu; Gupta, Ajay; Prasad, Puja; Sah, Raj Kumar; Singh, Arvind; Kumar, Sunil; Singh, Shailja; Gupta, Shalini; Sasmal, Pijus K. Mitochondria-Targeted Photoactivatable Real-Time Monitoring of a Controlled Drug Delivery Platform. Journal of medicinal chemistry, 2021, 64, 17813-17823 |
| 1558317 | CIF | C20 H20 F8 N4 O5 S | P 1 21 1 | 6.12766; 20.247; 10.0261 90; 94.623; 90 | 1239.86 | Zhang, Chen; Ye, Fei; Wang, Jianmin; He, Ping; Lei, Ming; Huang, Longbin; Huang, Anbang; Tang, Pingming; Lin, Hongjun; Liao, Yuting; Liang, Yong; Ni, Jia; Yan, Pangke Design, Synthesis, and Evaluation of a Series of Novel Super Long-Acting DPP-4 Inhibitors for the Treatment of Type 2 Diabetes. Journal of medicinal chemistry, 2020 |
| 1505017 | CIF | C20 H21 Cl4 Cu2 N10 O1.5 S2 | P -1 | 8.827; 10.796; 16.59 72.92; 85.5; 66.58 | 1385.4 | Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells. Journal of medicinal chemistry, 2007, 50, 1916-1924 |
| 1558132 | CIF | C20 H24 Cl N O4 | P 1 21/n 1 | 22.7581; 7.6989; 23.0256 90; 113.649; 90 | 3695.56 | Xu, Beibei; Jiang, Xunjin; Xiong, Jing; Lan, Jun; Tian, Yuan; Zhong, Linhai; Wang, Xinquan; Xu, Ning; Cao, Hanwei; Zhang, Wenqing; Zhang, Hao; Hong, Xiaoting; Zhan, Yan-Yan; Zhang, Yandong; Hu, Tianhui Structure-Activity Relationship Study Enables the Discovery of a Novel Berberine Analogue as RXRα Activator to Inhibit Colon Cancer. Journal of medicinal chemistry, 2020 |
| 1506358 | CIF | C20 H24 Cl2 N2 O9 Pt | P -1 | 8.9038; 12.4327; 12.8543 62.59; 82.906; 72.039 | 1201.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1562965 | CIF | C20.33333 H16.33333 Cl3 F3 N3 O2 | P 1 21/c 1 | 21.8663; 13.134; 23.2675 90; 94.217; 90 | 6664.1 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP–AMP Synthase Journal of Medicinal Chemistry, 2021 |
| 1548826 | CIF | C21 H17 Br F3 N3 O3 | P 21 21 21 | 10.3211; 19.696; 21.463 90; 90; 90 | 4363.1 | Shi, Jun; Gu, Zhengxiang; Jurica, Elizabeth Anne; Wu, Ximao; Haque, Lauren E.; Williams, Kristin N.; Hernandez, Andres S.; Hong, Zhenqiu; Gao, Qi; Dabros, Marta; Davulcu, Akin H.; Mathur, Arvind; Rampulla, Richard A.; Gupta, Arun Kumar; Jayaram, Ramya; Apedo, Atsu; Moore, Douglas B.; Liu, Heng; Kunselman, Lori K.; Brady, Edward J.; Wilkes, Jason J.; Zinker, Bradley A.; Cai, Hong; Shu, Yue-Zhong; Sun, Qin; Dierks, Elizabeth A.; Foster, Kimberly A.; Xu, Carrie; Wang, Tao; Panemangalore, Reshma; Cvijic, Mary Ellen; Xie, Chunshan; Cao, Gary G.; Zhou, Min; Krupinski, John; Whaley, Jean M.; Robl, Jeffrey A.; Ewing, William R.; Ellsworth, Bruce Alan Discovery of Potent and Orally Bioavailable Dihydropyrazole GPR40 Agonists. Journal of medicinal chemistry, 2018 |
| 1562962 | CIF | C21 H17 Cl2 N3 O2 | C 1 2/c 1 | 19.6265; 12.6274; 17.4555 90; 120.196; 90 | 3739 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
| 1514350 | CIF | C21 H18 Br2 F N3 O | P 21 21 2 | 19.716; 23.201; 4.2513 90; 90; 90 | 1944.7 | Naidoo, Jacinth; De Jesus-Cortes, Hector; Huntington, Paula; Estill, Sandi; Morlock, Lorraine K.; Starwalt, Ruth; Mangano, Thomas J.; Williams, Noelle S.; Pieper, Andrew A.; Ready, Joseph M. Discovery of a Neuroprotective Chemical, (S)-N-(3-(3,6-Dibromo-9H-carbazol-9-yl)-2-fluoropropyl)-6-methoxypyridin-2-amine [(-)-P7C3-S243], with Improved Druglike Properties. Journal of medicinal chemistry, 2014, 57, 3746-3754 |
| 1562966 | CIF | C21 H21 Cl2 N3 O4 | P 1 21 1 | 12.9023; 12.742; 18.9596 90; 103.842; 90 | 3026.5 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
| 1552487 | CIF | C21 H23 F3 N4 O2 S2 | P 1 21/n 1 | 17.147; 12.1241; 21.6325 90; 97.3465; 90 | 4460.3 | Focken, Thilo; Burford, Kristen; Grimwood, Michael E.; Zenova, Alla; Andrez, Jean-Christophe; Gong, Wei; Wilson, Michael; Taron, Matt; Decker, Shannon; Lofstrand, Verner; Chowdhury, Sultan; Shuart, Noah; Lin, Sophia; Goodchild, Samuel J.; Young, Clint; Soriano, Maegan; Tari, Parisa K.; Waldbrook, Matthew; Nelkenbrecher, Karen; Kwan, Rainbow; Lindgren, Andrea; de Boer, Gina; Lee, Stephanie; Sojo, Luis; DeVita, Robert J.; Cohen, Charles J.; Wesolowski, Steven S.; Johnson, Jr, J P; Dehnhardt, Christoph M.; Empfield, James R. Identification of CNS-Penetrant Aryl Sulfonamides as Isoform-Selective Na<sub>V</sub>1.6 Inhibitors with Efficacy in Mouse Models of Epilepsy. Journal of medicinal chemistry, 2019 |
| 1504345 | CIF | C21 H23 N3 O2 | P -1 | 7.9246; 8.7859; 28.0323 87.074; 85.771; 73.203 | 1862.5 | Diaz, Philippe; Xu, Jijun; Astruc-Diaz, Fanny; Pan, Hao-Min; Brown, David L.; Naguib, Mohamed Design and synthesis of a novel series of N-alkyl isatin acylhydrazone derivatives that act as selective cannabinoid receptor 2 agonists for the treatment of neuropathic pain. Journal of medicinal chemistry, 2008, 51, 4932-4947 |
| 1505030 | CIF | C21 H24 N2 O5 | P 1 21 1 | 6.6665; 5.7707; 25.533 90; 95.15; 90 | 978.3 | Robins, Morris J.; Nowak, Ireneusz; Rajwanshi, Vivek K.; Miranda, Karl; Cannon, John F.; Peterson, Matt A.; Andrei, Graciela; Snoeck, Robert; De Clercq, Erik; Balzarini, Jan Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core. Journal of medicinal chemistry, 2007, 50, 3897-3905 |
| 1553249 | CIF | C21 H24 O5 | P 21 21 21 | 4.9653; 10.6228; 34.2129 90; 90; 90 | 1804.57 | Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity. Journal of medicinal chemistry, 2015, 58, 2538-2546 |
| 1503668 | CIF | C21 H24 O6 | P 1 21 1 | 9.7642; 8.0842; 11.694 90; 98.007; 90 | 914.1 | Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents. Journal of medicinal chemistry, 2009, 52, 5115-5123 |
| 1503669 | CIF | C21 H24 O8 S | P 21 21 21 | 9.8274; 11.5318; 17.6885 90; 90; 90 | 2004.6 | Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents. Journal of medicinal chemistry, 2009, 52, 5115-5123 |
| 1511977 | CIF | C21 H25 F N O2.5 | C 1 2/c 1 | 21.457; 5.787; 29.727 90; 98.372; 90 | 3652 | Li, Yan; Wang, Xia; Zhang, Jinming; Deuther-Conrad, Winnie; Xie, Fang; Zhang, Xiaojun; Liu, Jian; Qiao, Jinping; Cui, Mengchao; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei Synthesis and evaluation of novel (18)F-labeled spirocyclic piperidine derivatives as σ1 receptor ligands for positron emission tomography imaging. Journal of medicinal chemistry, 2013, 56, 3478-3491 |
| 1518125 | CIF | C21 H25 F N6 O3 | P 1 21 1 | 9.9016; 10.9184; 19.2975 90; 102.826; 90 | 2034.19 | Grillot, Anne-Laure; Le Tiran, Arnaud; Shannon, Dean; Krueger, Elaine; Liao, Yusheng; O'Dowd, Hardwin; Tang, Qing; Ronkin, Steve; Wang, Tiansheng; Waal, Nathan; Li, Pan; Lauffer, David; Sizensky, Emmanuelle; Tanoury, Jerry; Perola, Emanuele; Grossman, Trudy H.; Doyle, Tim; Hanzelka, Brian; Jones, Steven; Dixit, Vaishali; Ewing, Nigel; Liao, Shengkai; Boucher, Brian; Jacobs, Marc; Bennani, Youssef; Charifson, Paul S. Second-generation antibacterial benzimidazole ureas: discovery of a preclinical candidate with reduced metabolic liability. Journal of medicinal chemistry, 2014, 57, 8792-8816 |
| 1553260 | CIF | C21 H25 F2 N3 O2 | P 21 21 21 | 7.5165; 8.0959; 24.661 90; 90; 90 | 1500.7 | Das, Pronay; Babbar, Palak; Malhotra, Nipun; Sharma, Manmohan; Jachak, Goraknath R.; Gonnade, Rajesh G.; Shanmugam, Dhanasekaran; Harlos, Karl; Yogavel, Manickam; Sharma, Amit; Reddy, D. Srinivasa Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite. Journal of medicinal chemistry, 2018, 61, 5664-5678 |
| 1511779 | CIF | C21 H26 F2 O4 | P 1 21/c 1 | 20.784; 10.63; 8.5364 90; 90.131; 90 | 1886 | Han, Changho; Salyer, Amy E.; Kim, Eun Hoo; Jiang, Xinyi; Jarrard, Rachel E.; Powers, Matthew S.; Kirchhoff, Aaron M.; Salvador, Tolani K.; Chester, Julia A.; Hockerman, Gregory H.; Colby, David A. Evaluation of Difluoromethyl Ketones as Agonists of the γ-Aminobutyric Acid Type B (GABAB) Receptor. Journal of medicinal chemistry, 2013, 56, 2456-2465 |
| 1506348 | CIF | C21 H28 O2 S | P 21 21 21 | 11.153; 12.65; 12.94 90; 90; 90 | 1825.6 | Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo 6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity. Journal of medicinal chemistry, 2005, 48, 5675-5683 |
| 1506347 | CIF | C21 H28 O3 | P 21 21 21 | 10.405; 16.508; 20.85 90; 90; 90 | 3581.3 | Veleiro, Adriana S.; Pecci, Adali; Monteserín, María C; Baggio, Ricardo; Garland, María T; Lantos, Carlos P.; Burton, Gerardo 6,19-Sulfur-bridged progesterone analogues with antiimmunosuppressive activity. Journal of medicinal chemistry, 2005, 48, 5675-5683 |
| 1501666 | CIF | C21 H30 F3 N O3 | P 21 21 21 | 8.1766; 10.4313; 23.7612 90; 90; 90 | 2026.65 | Woods, James R.; Mo, Huaping; Bieberich, Andrew A.; Alavanja, Tanja; Colby, David A. Fluorinated amino-derivatives of the sesquiterpene lactone, parthenolide, as (19)f NMR probes in deuterium-free environments. Journal of medicinal chemistry, 2011, 54, 7934-7941 |
| 1505021 | CIF | C21 H33 Cl N8 O7 Pt S | P -1 | 10.6463; 10.9812; 13.1259 90.642; 99.622; 113.788 | 1379.1 | Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity. Journal of medicinal chemistry, 2007, 50, 2259-2263 |
| 1504341 | CIF | C21 H34 N2 O3 | C 1 2 1 | 19.155; 5.871; 19.432 90; 96.031; 90 | 2173.2 | Gomtsyan, Arthur; Bayburt, Erol K.; Schmidt, Robert G.; Surowy, Carol S.; Honore, Prisca; Marsh, Kennan C.; Hannick, Steven M.; McDonald, Heath A.; Wetter, Jill M.; Sullivan, James P.; Jarvis, Michael F.; Faltynek, Connie R.; Lee, Chih-Hung Identification of (R)-1-(5-tert-butyl-2,3-dihydro-1H-inden-1-yl)-3-(1H-indazol-4-yl)urea (ABT-102) as a potent TRPV1 antagonist for pain management. Journal of medicinal chemistry, 2008, 51, 392-395 |
| 1542365 | CIF | C22 H17 F O3 S | P -1 | 5.7185; 11.8378; 13.7061 79.111; 86.121; 80.29 | 897.45 | Xiong, Rui; Patel, Hitisha K.; Gutgesell, Lauren M.; Zhao, Jiong; Delgado-Rivera, Loruhama; Pham, Thao N. D.; Zhao, Huiping; Carlson, Kathryn; Martin, Teresa; Katzenellenbogen, John A.; Moore, Terry W.; Tonetti, Debra A.; Thatcher, Gregory R. J. Selective Human Estrogen Receptor Partial Agonists (ShERPAs) for Tamoxifen-Resistant Breast Cancer. Journal of medicinal chemistry, 2016, 59, 219-237 |
| 1505037 | CIF | C22 H17 N5 O2 | P 1 21/c 1 | 10.8951; 20.05; 8.6412 90; 90.16; 90 | 1887.6 | Schmid, Wolfgang F.; John, Roland O.; Mühlgassner, Gerhard; Heffeter, Petra; Jakupec, Michael A.; Galanski, Markus; Berger, Walter; Arion, Vladimir B.; Keppler, Bernhard K. Metal-based paullones as putative CDK inhibitors for antitumor chemotherapy. Journal of medicinal chemistry, 2007, 50, 6343-6355 |
| 1508516 | CIF | C22 H20 Cu N2 O2 | P -1 | 9.242; 10.288; 14.494 77.219; 84.291; 80.289 | 1321.9 | Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation. Journal of medicinal chemistry, 2012, 55, 10448-10459 |
| 1502671 | CIF | C22 H21 N3 O4 | C 1 2/c 1 | 17.16; 8.241; 28.64 90; 105.34; 90 | 3905.8 | Zhu, Mingyan; Kim, Myung Hee; Lee, Sanghee; Bae, Su Jung; Kim, Seong Hwan; Park, Seung Bum Discovery of novel benzopyranyl tetracycles that act as inhibitors of osteoclastogenesis induced by receptor activator of NF-κB ligand. Journal of medicinal chemistry, 2010, 53, 8760-8764 |
| 1503663 | CIF | C22 H25 N3 O3 | P -1 | 8.3877; 8.4043; 15.1821 100.357; 103.537; 101.37 | 991 | Diaz, Philippe; Phatak, Sharangdhar S.; Xu, Jijun; Astruc-Diaz, Fanny; Cavasotto, Claudio N.; Naguib, Mohamed 6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction. Journal of medicinal chemistry, 2009, 52, 433-444 |
| 1558720 | CIF | C22 H26 N2 O3 | P c c n | 21.4182; 22.3478; 9.3093 90; 90; 90 | 4455.89 | Hassan, Muhammad Murtaza; Israelian, Johan; Nawar, Nabanita; Ganda, Giovanni; Manaswiyoungkul, Pimyupa; Raouf, Yasir; Armstrong, David; Sedighi, Abootaleb; Olaoye, Olasunkanmi O.; Erdogan, Fettah; Cabral, Aaron D.; Angeles, Fabrizio; Altintas, Rabia; de Araujo, Elvin D.; Gunning, Patrick Thomas Characterization of Conformationally Constrained Benzanilide Scaffolds for Potent and Selective HDAC8 Targeting. Journal of medicinal chemistry, 2020 |
| 1513077 | CIF | C22 H26 O7 | P 1 21 1 | 8.4083; 10.1331; 11.461 90; 94.736; 90 | 973.2 | Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Yang, Zhengduo; Wild, Christopher; Ye, Na; Ester, Corbin D.; Xiong, Ailian; White, Mark A.; Shen, Qiang; Zhou, Jia Oridonin Ring A-Based Diverse Constructions of Enone Functionality: Identification of Novel Dienone Analogues Effective for Highly Aggressive Breast Cancer by Inducing Apoptosis Journal of Medicinal Chemistry, 2013, 56, 8814 |
| 1505029 | CIF | C22 H27 N3 O5 | P 1 21 1 | 6.6883; 5.6677; 27.611 90; 95.9; 90 | 1041.1 | Robins, Morris J.; Nowak, Ireneusz; Rajwanshi, Vivek K.; Miranda, Karl; Cannon, John F.; Peterson, Matt A.; Andrei, Graciela; Snoeck, Robert; De Clercq, Erik; Balzarini, Jan Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core. Journal of medicinal chemistry, 2007, 50, 3897-3905 |
| 1545901 | CIF | C22 H28 O4 | P 21 21 21 | 6.1077; 15.287; 21.901 90; 90; 90 | 2044.9 | Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017 |
| 1505027 | CIF | C22 H29 N O6 | P 1 21 1 | 14.443; 5.797; 15.243 90; 115.4; 90 | 1152.9 | Saquib, Mohammad; Gupta, Manish K.; Sagar, Ram; Prabhakar, Yenamandra S.; Shaw, Arun K.; Kumar, Rishi; Maulik, Prakas R.; Gaikwad, Anil N.; Sinha, Sudhir; Srivastava, Anil K.; Chaturvedi, Vinita; Srivastava, Ranjana; Srivastava, Brahm S. C-3 alkyl/arylalkyl-2,3-dideoxy hex-2-enopyranosides as antitubercular agents: synthesis, biological evaluation, and QSAR study. Journal of medicinal chemistry, 2007, 50, 2942-2950 |
| 1506355 | CIF | C22 H32 Cl2 N2 O6 Pt | P 1 21/c 1 | 7.7485; 18.294; 18.356 90; 92.129; 90 | 2600.2 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1506353 | CIF | C23 H21 F4 N O4 | P -1 | 8.8822; 9.7444; 12.9675 76.306; 72.48; 89.873 | 1036.98 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
| 1508517 | CIF | C23 H22 Fe N2 O2 | P 1 21/c 1 | 22.584; 7.59176; 10.5047 90; 92.039; 90 | 1799.91 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
| 1548835 | CIF | C23 H23 N O4 | P 1 21/c 1 | 12.8609; 16.719; 8.987 90; 99.434; 90 | 1906.3 | Zhang, Wei; Lun, Shichun; Wang, Shu-Huan; Jiang, Xing-Wu; Yang, Fan; Tang, Jie; Manson, Abigail L.; Earl, Ashlee M.; Gunosewoyo, Hendra; Bishai, William R.; Yu, Li-Fang Identification of Novel Coumestan Derivatives as Polyketide Synthase 13 Inhibitors against Mycobacterium tuberculosis. Journal of medicinal chemistry, 2018 |
| 1508518 | CIF | C23 H24 Fe N2 O | P -1 | 7.455; 10.3389; 13.2992 72.296; 81.3454; 78.354 | 952.04 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
| 1517164 | CIF | C23 H25 Cl F6 N3 O P Ru | P 1 21/n 1 | 9.887; 18.473; 14.002 90; 104.589; 90 | 2474.9 | Chow, Mun Juinn; Licona, Cynthia; Yuan Qiang Wong, Daniel; Pastorin, Giorgia; Gaiddon, Christian; Ang, Wee Han Discovery and Investigation of Anticancer Ruthenium-Arene Schiff-Base Complexes via Water-Promoted Combinatorial Three-Component Assembly. Journal of medicinal chemistry, 2014, 57, 6043-6059 |
| 1542627 | CIF | C23 H25 N2 O6 Re | P -1 | 9.569; 9.937; 12.748 89.068; 68.454; 84.701 | 1122.4 | Li, Dan; Chen, Yuanyuan; Wang, Xia; Deuther-Conrad, Winnie; Chen, Xin; Jia, Bing; Dong, Chengyan; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei (99m)Tc-Cyclopentadienyl Tricarbonyl Chelate-Labeled Compounds as Selective Sigma-2 Receptor Ligands for Tumor Imaging. Journal of medicinal chemistry, 2016, 59, 934-946 |
| 1561376 | CIF | C23 H27 F2 N5 O2 | C 1 2 1 | 36.459; 8.6753; 13.8617 90; 98.333; 90 | 4338.1 | Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. Journal of medicinal chemistry, 2021 |
| 1545902 | CIF | C23 H27 N O4 | P 1 21 1 | 10.0156; 6.613; 15.9543 90; 91.121; 90 | 1056.5 | Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017 |
| 1561377 | CIF | C23 H28 F N5 O2 | P -1 | 9.8391; 11.1859; 11.8823 72.632; 89.776; 64.843 | 1118.23 | Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. Journal of medicinal chemistry, 2021 |
| 1560800 | CIF | C23 H28.5 Cl1.5 N8 O0.25 S2 Zn | C 1 2/c 1 | 14.257; 11.4474; 17.156 90; 108.496; 90 | 2655.3 | Gilleran, John A.; Yu, Xin; Blayney, Alan J.; Bencivenga, Anthony F.; Na, Bing; Augeri, David J.; Blanden, Adam R.; Kimball, S. David; Loh, Stewart N.; Roberge, Jacques Y.; Carpizo, Darren R. Benzothiazolyl and Benzoxazolyl Hydrazones Function as Zinc Metallochaperones to Reactivate Mutant p53. Journal of medicinal chemistry, 2021, 64, 2024-2045 |
| 1564801 | CIF | C23 H29 Cl O5 | P 1 21 1 | 24.8351; 7.171; 25.5947 90; 93.822; 90 | 4548.1 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564802 | CIF | C23 H29 Cl O5 | P 1 | 6.1316; 11.209; 16.0507 90.884; 100.853; 93.813 | 1080.58 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1505680 | CIF | C23 H30 O7 | P 1 21 1 | 8.8996; 12.0769; 10.5206 90; 90.695; 90 | 1130.67 | Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H. Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. Journal of medicinal chemistry, 2006, 49, 2174-2185 |
| 1564798 | CIF | C23 H31 Cl O4 | P 1 21 1 | 6.7959; 36.5395; 8.7513 90; 98.87; 90 | 2147.12 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564803 | CIF | C23 H31 Cl O4 | P 1 21 1 | 7.1951; 40.1443; 15.3671 90; 96.963; 90 | 4405.9 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1564800 | CIF | C23 H31 Cl O5 | P 1 | 15.1437; 17.4925; 19.3925 105.337; 92.858; 113.621 | 4467.9 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1553250 | CIF | C23 H31 F N3 O10 P | C 1 2 1 | 30.024; 7.0591; 13.29 90; 101.32; 90 | 2761.9 | Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma. Journal of medicinal chemistry, 2016, 59, 3661-3670 |
| 1564797 | CIF | C23 H32 O4 | P 1 21 1 | 7.6632; 12.1003; 21.8916 90; 94.348; 90 | 2024.1 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1505031 | CIF | C23 H32 O8 | P 21 21 21 | 6.3428; 10.563; 31.962 90; 90; 90 | 2141.4 | Simpson, Denise S.; Katavic, Peter L.; Lozama, Anthony; Harding, Wayne W.; Parrish, Damon; Deschamps, Jeffrey R.; Dersch, Christina M.; Partilla, John S.; Rothman, Richard B.; Navarro, Hernan; Prisinzano, Thomas E. Synthetic studies of neoclerodane diterpenes from Salvia divinorum: preparation and opioid receptor activity of salvinicin analogues. Journal of medicinal chemistry, 2007, 50, 3596-3603 |
| 1564799 | CIF | C23 H33 Cl O5 | P 32 2 1 | 11.4588; 11.4588; 28.4455 90; 90; 120 | 3234.61 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1506350 | CIF | C23 H34 Cu2 Fe N14 O11 S2 | P 1 21/n 1 | 13.946; 7.163; 18.389 90; 93.37; 90 | 1833.8 | Belicchi-Ferrari, Marisa; Bisceglie, Franco; Casoli, Claudio; Durot, Stéphanie; Morgenstern-Badarau, Irène; Pelosi, Giorgio; Pilotti, Elisabetta; Pinelli, Silvana; Tarasconi, Pieralberto Copper(II) and cobalt(III) pyridoxal thiosemicarbazone complexes with nitroprusside as counterion: syntheses, electronic properties, and antileukemic activity. Journal of medicinal chemistry, 2005, 48, 1671-1675 |
| 1505028 | CIF | C23 H36 Cl Cu N5 O8 | P b c a | 21.134; 10.7258; 23.111 90; 90; 90 | 5238.8 | Sprague, Jennifer E.; Peng, Yijie; Fiamengo, Ashley L.; Woodin, Katrina S.; Southwick, Evan A.; Weisman, Gary R.; Wong, Edward H.; Golen, James A.; Rheingold, Arnold L.; Anderson, Carolyn J. Synthesis, characterization and in vivo studies of Cu(II)-64-labeled cross-bridged tetraazamacrocycle-amide complexes as models of peptide conjugate imaging agents. Journal of medicinal chemistry, 2007, 50, 2527-2535 |
| 1501667 | CIF | C24 H21 Cl N4 O6 | P -1 | 9.0566; 12.7489; 12.9111 110.172; 103.14; 105.713 | 1259.3 | Bollini, Mariela; Domaoal, Robert A.; Thakur, Vinay V.; Gallardo-Macias, Ricardo; Spasov, Krasimir A.; Anderson, Karen S.; Jorgensen, William L. Computationally-guided optimization of a docking hit to yield catechol diethers as potent anti-HIV agents. Journal of medicinal chemistry, 2011, 54, 8582-8591 |
| 1562963 | CIF | C24 H22 Cl5 N3 O3 | P -1 | 9.9578; 11.0634; 12.0224 82.132; 78.467; 81.112 | 1274.4 | Tan, Jing; Wu, Bing; Chen, Tingting; Fan, Chen; Zhao, Jiannan; Xiong, Chaodong; Feng, Chunlan; Xiao, Ruoxuan; Ding, Chunyong; Tang, Wei; Zhang, Ao Synthesis and Pharmacological Evaluation of Tetrahydro-γ-carboline Derivatives as Potent Anti-inflammatory Agents Targeting Cyclic GMP‒AMP Synthase Journal of Medicinal Chemistry, 2021 |
| 1552565 | CIF | C24 H26 N2 O4 | P 1 21 1 | 11.4081; 16.2769; 12.6451 90; 116.589; 90 | 2099.7 | Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D. Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth. Journal of medicinal chemistry, 2019, 62, 4500-4525 |
| 1552564 | CIF | C24 H26 N2 O5 | P 21 21 21 | 5.3744; 13.834; 28.1059 90; 90; 90 | 2089.7 | Mir, Fatemeh M.; Atmuri, N. D. Prasad; Bourguet, Carine B.; Fores, Jennifer Rodon; Hou, Xin; Chemtob, Sylvain; Lubell, William D. Paired Utility of Aza-Amino Acyl Proline and Indolizidinone Amino Acid Residues for Peptide Mimicry: Conception of Prostaglandin F2α Receptor Allosteric Modulators That Delay Preterm Birth. Journal of medicinal chemistry, 2019, 62, 4500-4525 |
| 1512249 | CIF | C24 H27 Cl Cu N6 O P | P 1 21/n 1 | 8.343; 15.605; 20.06 90; 95.36; 90 | 2600.2 | Gandin, Valentina; Porchia, Marina; Tisato, Francesco; Zanella, Alessandro; Severin, Emilia; Dolmella, Alessandro; Marzano, Cristina Novel mixed-ligand copper(i) complexes: role of diimine ligands on cytotoxicity and genotoxicity. Journal of medicinal chemistry, 2013, 56, 7416-7430 |
| 1506357 | CIF | C24 H30 Cl2 N4 O6 Pt | P -1 | 7.8196; 12.2969; 16.4366 81.492; 77.063; 88.498 | 1523.4 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1505022 | CIF | C24 H37 Cl N8 O6 Pt S | P -1 | 7.266; 11.8032; 17.193 95.598; 92.629; 94.082 | 1461.7 | Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity. Journal of medicinal chemistry, 2007, 50, 2259-2263 |
| 1505684 | CIF | C24 H38 Cl2 N4 Ru | P -1 | 8.563; 13.044; 13.243 110.87; 98.93; 95.91 | 1345.2 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
| 1505020 | CIF | C24 H39.5 Cl N8 O8.25 Pt S | P 1 21 1 | 10.509; 31.892; 10.564 90; 117.63; 90 | 3137 | Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity. Journal of medicinal chemistry, 2007, 50, 2259-2263 |
| 1512128 | CIF | C25 H22 Cl5 N2 P Pd | P 1 21/n 1 | 13.102; 14.328; 15.347 90; 111.72; 90 | 2676.5 | Lease, Nicholas; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Sanaú, Mercedes; Hirva, Pipsa; Casini, Angela; Contel, María Potential Anticancer Heterometallic Fe‒Au and Fe‒Pd Agents: Initial Mechanistic Insights Journal of Medicinal Chemistry, 2013, 56, 5806 |
| 1503454 | CIF | C25 H22 N2 O4 | P 1 21 1 | 6.2608; 27.9762; 11.5615 89.99; 90.002; 89.995 | 2025.04 | Zhang, Hankun; Tückmantel, Werner; Eaton, J. Brek; Yuen, Po-Wai; Yu, Li-Fang; Bajjuri, Krishna Mohan; Fedolak, Allison; Wang, Daguang; Ghavami, Afshin; Caldarone, Barbara; Paterson, Neil E.; Lowe, David A.; Brunner, Daniela; Lukas, Ronald J.; Kozikowski, Alan P. Chemistry and Behavioral Studies Identify Chiral Cyclopropanes as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists Exhibiting an Antidepressant Profile. Journal of medicinal chemistry, 2012, 55, 717-724 |
| 1557185 | CIF | C25 H23 F4 N5 O5 | P 1 | 10.1492; 10.1392; 25.2626 96.515; 96.515; 107.35 | 2435.42 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
| 1546199 | CIF | C25 H24 N2 O3 | P 21 21 21 | 12.237; 12.4525; 13.7714 90; 90; 90 | 2098.5 | Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form. Journal of medicinal chemistry, 2017, 60, 4503-4509 |
| 1508519 | CIF | C25 H26 Fe N2 O2 | P c a 21 | 19.7267; 5.7377; 36.268 90; 90; 90 | 4105 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
| 1545900 | CIF | C25 H31 N O2 | P 1 21 1 | 5.4583; 10.396; 19.0896 90; 98.026; 90 | 1072.62 | Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017, 60, 3606-3617 |
| 1502664 | CIF | C25 H52 Gd N5 O10 S | P -1 | 8.0364; 10.4906; 21.799 76.573; 86.307; 88.816 | 1783.8 | Raghunand, Natarajan; Guntle, Gerald P.; Gokhale, Vijay; Nichol, Gary S.; Mash, Eugene A.; Jagadish, Bhumasamudram Design, synthesis, and evaluation of 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid derived, redox-sensitive contrast agents for magnetic resonance imaging. Journal of medicinal chemistry, 2010, 53, 6747-6757 |
| 1553256 | CIF | C26 H20 F N5 O2 | P -1 | 7.7758; 10.3458; 14.6505 71.053; 75.006; 80.624 | 1072.75 | Zhao, Yujun; Zhou, Bing; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer L.; Stuckey, Jeanne A.; McEachern, Donna; Przybranowski, Sally; Wang, Mi; Ran, Xu; Aguilar, Angelo; Hu, Yang; Kampf, Jeff W.; Li, Xiaoqin; Zhao, Ting; Li, Siwei; Wen, Bo; Sun, Duxin; Wang, Shaomeng Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. Journal of medicinal chemistry, 2018, 61, 6110-6120 |
| 1561878 | CIF | C26 H22 Br3 Cu3 N8 S4 | C 1 2/c 1 | 10.7395; 16.0006; 18.9882 90; 96.286; 90 | 3243.3 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
| 1561877 | CIF | C26 H22 Cu2 N10 O6 S4 | P -1 | 7.9731; 9.8264; 10.9176 76.501; 85.908; 73.399 | 797.05 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
| 1566549 | CIF | C26 H23 Br N6 O | P -1 | 12.22; 12.7328; 16.424 76.485; 82.598; 67.698 | 2296.6 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1553264 | CIF | C26 H23 N3 O3 | P -1 | 7.738; 10.534; 14.044 70.163; 86.367; 81.901 | 1065.9 | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry, 2018, 61, 10488-10501 |
| 1553266 | CIF | C26 H24 N2 O2 | P 1 21/c 1 | 10.2122; 16.083; 12.5447 90; 104.737; 90 | 1992.6 | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry, 2018, 61, 10488-10501 |
| 1557720 | CIF | C26 H26 F6 Ir N2 P | P 1 21/c 1 | 15.2558; 10.7013; 15.9682 90; 110.221; 90 | 2446.2 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
| 1501660 | CIF | C26 H26 N2 O2 | P 21 21 21 | 11.2339; 11.6808; 16.4783 90; 90; 90 | 2162.3 | Trapella, Claudio; Pela, Michela; Del Zoppo, Luisa; Calo, Girolamo; Camarda, Valeria; Ruzza, Chiara; Cavazzini, Alberto; Costa, Valentina; Bertolasi, Valerio; Reinscheid, Rainer K.; Salvadori, Severo; Guerrini, Remo Synthesis and separation of the enantiomers of the neuropeptide S receptor antagonist (9R/S)-3-oxo-1,1-diphenyl-tetrahydro-oxazolo[3,4-a]pyrazine-7-carboxylic acid 4-fluoro-benzylamide (SHA 68). Journal of medicinal chemistry, 2011, 54, 2738-2744 |
| 1557183 | CIF | C26 H28 N4 O5 | P 41 | 11.7728; 11.7728; 17.1159 90; 90; 90 | 2372.2 | Yang, Yaxi; Zhang, Rukang; Li, Zhaojun; Mei, Lianghe; Wan, Shili; Ding, Hong; Chen, Zhifeng; Xing, Jing; Feng, Huijin; Han, Jie; Jiang, Hualiang; Zheng, Mingyue; Luo, Cheng; Zhou, Bing Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors. Journal of medicinal chemistry, 2020 |
| 1552489 | CIF | C26 H30 F3 N7 O9 | P 1 | 5.0591; 10.9615; 13.2 103.037; 90.846; 90.3108 | 713.03 | Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT). Journal of medicinal chemistry, 2019 |
| 1506356 | CIF | C26 H36 Cl2 N2 O6 Pt | I 1 2/a 1 | 23.951; 7.8455; 32.732 90; 110.353; 90 | 5766.6 | Ang, Wee Han; Pilet, Sébastien; Scopelliti, Rosario; Bussy, François; Juillerat-Jeanneret, Lucienne; Dyson, Paul J. Synthesis and characterization of platinum(IV) anticancer drugs with functionalized aromatic carboxylate ligands: influence of the ligands on drug efficacies and uptake. Journal of medicinal chemistry, 2005, 48, 8060-8069 |
| 1502670 | CIF | C26.5 H33 N O6.5 | P 1 21 1 | 5.1805; 17.2642; 28.104 90; 92.234; 90 | 2511.63 | Auzzas, Luciana; Larsson, Andreas; Matera, Riccardo; Baraldi, Annamaria; Deschênes-Simard, Benoît; Giannini, Giuseppe; Cabri, Walter; Battistuzzi, Gianfranco; Gallo, Grazia; Ciacci, Andrea; Vesci, Loredana; Pisano, Claudio; Hanessian, Stephen Non-natural macrocyclic inhibitors of histone deacetylases: design, synthesis, and activity. Journal of medicinal chemistry, 2010, 53, 8387-8399 |
| 1502658 | CIF | C27 H23 Cl3 N4 O2 | P 21 21 21 | 11.1695; 11.2252; 20.0044 90; 90; 90 | 2508.1 | Yan, Lin; Huo, Pei; Debenham, John S.; Madsen-Duggan, Christina B; Lao, Julie; Chen, Richard Z.; Xiao, Jing Chen; Shen, Chun-Pyn; Stribling, D. Sloan; Shearman, Lauren P.; Strack, Alison M.; Tsou, Nancy; Ball, Richard G.; Wang, Junying; Tong, Xinchun; Bateman, Thomas J.; Reddy, Vijay B. G.; Fong, Tung M.; Hale, Jeffrey J. Discovery of N-[(4R)-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl]-5-methyl-1H-pyrazole-3-carboxamide (MK-5596) as a novel cannabinoid-1 receptor (CB1R) inverse agonist for the treatment of obesity. Journal of medicinal chemistry, 2010, 53, 4028-4037 |
| 1505682 | CIF | C27 H25 Au N O5 P S | P -1 | 10.218; 12.489; 12.62 106.208; 112.512; 104.97 | 1302 | Gunatilleke, Shamila S.; Barrios, Amy M. Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation. Journal of medicinal chemistry, 2006, 49, 3933-3937 |
| 1557719 | CIF | C27 H25 Cl3 F8 Ir N2 P | P -1 | 8.8857; 11.9211; 14.3535 84.168; 86.455; 75.92 | 1466.03 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
| 1505025 | CIF | C27 H26 Cl2 N2 Ru | P 1 21/c 1 | 14.34; 12.4234; 15.156 90; 117.502; 90 | 2394.9 | Vock, Carsten A.; Ang, Wee Han; Scolaro, Claudine; Phillips, Andrew D.; Lagopoulos, Lucienne; Juillerat-Jeanneret, Lucienne; Sava, Gianni; Scopelliti, Rosario; Dyson, Paul J. Development of ruthenium antitumor drugs that overcome multidrug resistance mechanisms. Journal of medicinal chemistry, 2007, 50, 2166-2175 |
| 1553265 | CIF | C27 H26 N2 O2 | P 1 21/c 1 | 12.27; 21.5852; 8.2015 90; 99.774; 90 | 2140.64 | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry, 2018, 61, 10488-10501 |
| 1553254 | CIF | C27 H28 Br N5 O3 | P 1 21 1 | 13.774; 18.775; 10.658 90; 110.084; 90 | 2588.6 | Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry, 2018, 61, 4608-4627 |
| 1552558 | CIF | C27 H29 N5 O3 | P 1 | 8.6537; 8.8678; 16.7811 77.756; 82.545; 68.655 | 1170.2 | Guo, Yunhang; Liu, Ye; Hu, Nan; Yu, Desheng; Zhou, Changyou; Shi, Gongyin; Zhang, Bo; Wei, Min; Liu, Junhua; Luo, Lusong; Tang, Zhiyu; Song, Huipeng; Guo, Yin; Liu, Xuesong; Su, Dan; Zhang, Shuo; Song, Xiaomin; Zhou, Xing; Hong, Yuan; Chen, Shuaishuai; Cheng, Zhenzhen; Young, Steve; Wei, Qiang; Wang, Haisheng; Wang, Qiuwen; Lv, Lei; Wang, Fan; Xu, Haipeng; Sun, Hanzi; Xing, Haimei; Li, Na; Zhang, Wei; Wang, Zhongbo; Liu, Guodong; Sun, Zhijian; Zhou, Dongping; Li, Wei; Liu, Libin; Wang, Lai; Wang, Zhiwei Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. Journal of medicinal chemistry, 2019, 62, 7923-7940 |
| 1553261 | CIF | C27 H32 N2 O4 | P 1 21/c 1 | 9.41991; 10.1144; 23.7285 90; 91.6653; 90 | 2259.82 | Zhang, Xiao-Ru; Wang, Hao-Wen; Tang, Wen-Lin; Zhang, Yu; Yang, Hui; Hu, De-Xuan; Ravji, Azhar; Marchand, Christophe; Kiselev, Evgeny; Ofori-Atta, Kwabena; Agama, Keli; Pommier, Yves; An, Lin-Kun Discovery, Synthesis, and Evaluation of Oxynitidine Derivatives as Dual Inhibitors of DNA Topoisomerase IB (TOP1) and Tyrosyl-DNA Phosphodiesterase 1 (TDP1), and Potential Antitumor Agents. Journal of medicinal chemistry, 2018, 61, 9908-9930 |
| 1557717 | CIF | C27.75 H28.75 Cl2.25 F6 Ir N2 P | P -1 | 8.8214; 12.811; 13.5282 81.1829; 82.9683; 87.8789 | 1499.15 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
| 1557718 | CIF | C28 H26 F6 Ir N2 P | P 1 21/c 1 | 15.8944; 10.8142; 15.7843 90; 111.606; 90 | 2522.46 | Carrasco, Ana C.; Rodríguez-Fanjul, Vanessa; Habtemariam, Abraha; Pizarro, Ana M. Structurally Strained Half-Sandwich Iridium(III) Complexes As Highly Potent Anticancer Agents. Journal of medicinal chemistry, 2020 |
| 1559410 | CIF | C28 H27 N3 O7 | P 21 21 21 | 7.22366; 16.5577; 20.6478 90; 90; 90 | 2469.63 | Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure–Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020 |
| 1566544 | CIF | C28 H28 Br Cl Cu N6 O2 | P 1 21/c 1 | 16.1127; 8.9758; 19.2463 90; 103.825; 90 | 2702.85 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1566545 | CIF | C28 H28 Cl Cu N6 O1.5 | P 1 21/c 1 | 15.0147; 34.2629; 10.2999 90; 107.565; 90 | 5051.7 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1505033 | CIF | C28 H35 N O6 | P 21 21 21 | 8.6763; 14.897; 20.9747 90; 90; 90 | 2711 | Vyavahare, Vinod P.; Chakraborty, Chaitali; Maity, Biswanath; Chattopadhyay, Subrata; Puranik, Vedavati G.; Dhavale, Dilip D. Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents. Journal of medicinal chemistry, 2007, 50, 5519-5523 |
| 1505023 | CIF | C28 H37 Cl N8 O10 Pt S | P -1 | 14.4746; 18.7922; 19.543 103.44; 98.838; 95.471 | 5061.2 | Guddneppanavar, Rajsekhar; Choudhury, Jayati Roy; Kheradi, Alexander R.; Steen, Bartlett D.; Saluta, Gilda; Kucera, Gregory L.; Day, Cynthia S.; Bierbach, Ulrich Effect of the diamine nonleaving group in platinum-acridinylthiourea conjugates on DNA damage and cytotoxicity. Journal of medicinal chemistry, 2007, 50, 2259-2263 |
| 1506352 | CIF | C28 H38 N O6 P | P 1 | 6.413; 13.141; 17.092 82.02; 86.3; 76.29 | 1385.1 | Albert, Rainer; Hinterding, Klaus; Brinkmann, Volker; Guerini, Danilo; Müller-Hartwieg, Constanze; Knecht, Helmut; Simeon, Corinne; Streiff, Markus; Wagner, Trixie; Welzenbach, Karl; Zécri, Frédéric; Zollinger, Markus; Cooke, Nigel; Francotte, Eric Novel immunomodulator FTY720 is phosphorylated in rats and humans to form a single stereoisomer. Identification, chemical proof, and biological characterization of the biologically active species and its enantiomer. Journal of medicinal chemistry, 2005, 48, 5373-5377 |
| 1503673 | CIF | C28 H46 Fe2 N22 O13 S4 | C 1 2/c 1 | 9.2033; 23.0998; 21.2104 90; 92.473; 90 | 4505 | Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K. Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation. Journal of medicinal chemistry, 2009, 52, 5032-5043 |
| 1559413 | CIF | C29 H28 N4 O6 | P 1 21 1 | 15.4258; 8.2007; 20.1539 90; 98.481; 90 | 2521.64 | Wang, Jinhui; Jin, Weiyang; Zhou, Xiaoxin; Li, Jiaqi; Xu, Chengdong; Ma, Zhongjun; Wang, Jianan; Qin, Lele; Zhou, Biao; Ding, Wanjing; Gao, Tingting; Yao, Hangping; Chen, Zhe Identification, Structure–Activity Relationships of Marine-Derived Indolocarbazoles, and a Dual PKCθ/δ Inhibitor with Potent Antipancreatic Cancer Efficacy Journal of Medicinal Chemistry, 2020 |
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