Crystallography Open Database

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1553257 CIFC H OP 21 21 216.9288; 7.9172; 52.844
90; 90; 90
2898.8Das, 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
1552562 CIFC10 H12 F2 N2 O5P 21 21 215.8735; 13.5166; 14.1374
90; 90; 90
1122.36Yoon, 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 CIFC10 H12 F3 N3 O5 PtP 1 21/c 118.336; 7.1871; 10.8106
90; 100.556; 90
1400.5Wilson, 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 CIFC10 H13 F N2 O5P 32 2 16.6465; 6.6465; 43.3632
90; 90; 120
1658.97Yoon, 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 CIFC10 H15 Br2 Cl3P 21 21 216.115; 12.456; 19.188
90; 90; 90
1461.52Fuller, 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 CIFC10 H15 N3 O5 PtP c a 219.4898; 15.218; 8.9436
90; 90; 90
1291.6Wilson, 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 CIFC10 H17 N5 O6P 21 21 217.1785; 10.0813; 17.096
90; 90; 90
1237.2Clinch, 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 CIFC10 H4 O2 S2P 1 21/c 18.96; 14.8156; 6.7569
90; 102.962; 90
874.11Hyatt, 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 CIFC10.5 H17 Cl2 N2 O4.5 PtP 1 21/c 113.66; 9.867; 23.937
90; 98.52; 90
3190.7Chin, 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 CIFC11 H16 F2 N5 O4.5P 1 21 110.20373; 6.97368; 18.69692
90; 96.8278; 90
1320.99Yoon, 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 CIFC11 H17 Cl F N O Pt SP 1 21/c 15.9315; 12.1005; 19.7
90; 103.067; 90
1377.34Zamora, 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 CIFC11 H20 N2 O2P 1 21 111.4279; 9.9784; 16.245
90; 93.967; 90
1848.01Fox, 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 CIFC12 H11 N O3P 21 21 216.917; 8.4769; 18.1729
90; 90; 90
1065.56Xue, 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
1553265 CIFC12 H11.556 N0.889 O0.889P 1 21/c 112.27; 21.5852; 8.2015
90; 99.774; 90
2140.64Wu, 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
1507499 CIFC12 H13 Br Cl N3 SP 1 21/c 121.335; 9.315; 14.491
90; 102.995; 90
2806.12Schröder, 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 CIFC12 H15 F N6 O4P 437.3545; 7.3545; 27.835
90; 90; 90
1505.6Yang, 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 CIFC12 H16 Br N3 O2 SP 1 21/c 110.18411; 14.96067; 9.13052
90; 99.2862; 90
1372.9Baud, 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 CIFC12 H16 N2 O2P -17.7366; 7.9072; 10.7395
99.872; 102.594; 113.64
562.21Wittmann, 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 CIFC12 H17 N5 O SP 1 21/c 111.544; 13.204; 10.086
90; 112.081; 90
1424.6Ohui, 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 CIFC12 H18 O2 SiP 1 21/c 114.814; 7.972; 10.798
90; 100.7; 90
1253Kleemiss, 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 CIFC12 H22 Cl Cu N5 O4 SP -19.2626; 9.5087; 11.0617
89.565; 76.519; 67.742
873.29Ohui, 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 CIFC12 H22 Cl2 N2 O8 PtP -18.2185; 10.0375; 12.4165
67.002; 71.136; 84.577
891.63Varbanov, 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 CIFC12 H26 Cl2 N2 O9 PtP n a 2123.5231; 10.6395; 8.1822
90; 90; 90
2047.79Reithofer, 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 CIFC13 H11 Cl Cu N4 S2P -18.6462; 9.7989; 10.1011
68.887; 71.065; 82.137
755Gou, 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 CIFC13 H15 Fe N O SeC 1 2/c 117.983; 7.4102; 19.235
90; 93.649; 90
2558Gutiérrez-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 CIFC13 H15 N3 O5P 21 21 218.4194; 8.5433; 19.1641
90; 90; 90
1378.46Yang, 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 CIFC13 H15 N3 O5 SP 1 21/c 112.3726; 11.22; 10.9487
90; 99.0665; 90
1500.92Shao, 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 CIFC13 H18 Cl Cu N5 O SC 1 2/c 115.7566; 14.2967; 14.2703
90; 92.971; 90
3210.3Ohui, 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 CIFC13 H18 O2P 1 21/c 114.465; 7.815; 10.435
90; 99.66; 90
1162.9Kleemiss, 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 CIFC13 H18 O4P 1 21 15.7618; 19.4824; 11.8204
90; 90.0232; 90
1326.88Policarpo, 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 CIFC13 H19 N5 O SP 1 21/c 122.7776; 6.8585; 9.88
90; 98.889; 90
1524.92Ohui, 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 CIFC13 H27 N O4 SP 1 21 16.0994; 22.475; 11.962
90; 91.895; 90
1638.9Maolanon, 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 CIFC130 H133 Br4 Cl8 N16 O3.5 Os4P -113.8319; 14.1376; 18.3912
98.511; 107.338; 102.012
3271.8Schmid, 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 CIFC14 H13 I O2P b c a7.8201; 15.7081; 21.1791
90; 90; 90
2601.6Yang, 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 CIFC14 H13 I O2P n a 216.1079; 7.2239; 28.327
90; 90; 90
1249.9Yang, 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 CIFC14 H13 N O3 S2P c a 2113.516; 9.108; 22.558
90; 90; 90
2777Agrawal, 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 CIFC14 H14 Cl4 Cu2 N10P 1 21/a 18.346; 14.28; 8.376
90; 93.43; 90
996.5Tardito, 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 CIFC14 H16 Cu Fe N10 O5 SP 1 21/n 113.157; 13.641; 14.205
90; 115.98; 90
2291.8Belicchi-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 CIFC14 H19.5 Cl2 N Na O6.75P 1 21 19.554; 39.491; 9.8412
90; 90.729; 90
3712.75Llinàs, 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 CIFC14 H21 N5 O SP 1 21/c 16.1236; 7.95; 30.956
90; 92.419; 90
1505.68Ohui, 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 CIFC14 H22 O5P 21 21 215.7488; 9.3963; 27.2172
90; 90; 90
1470.2Policarpo, 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 CIFC14 H24 Cu N6 S2P -17.58; 12.83; 18.298
98.489; 99.605; 91.102
1733.6Palanimuthu, 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 CIFC14 H24 N2 O2P 21 21 2110.2116; 10.8607; 13.1256
90; 90; 90
1455.7Fox, 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 CIFC15 H14 N4 O2P 21 21 215.8178; 16.9835; 28.2863
90; 90; 90
2794.9Yang, 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 CIFC15 H14 O3P 21 21 215.5437; 8.4551; 52.42
90; 90; 90
2457.06Müller, 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 CIFC15 H17 F3 O3P 21 21 218.511; 11.945; 14.173
90; 90; 90
1440.9Yang, 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 CIFC15 H20 O3P 21 21 216.1945; 10.289; 21.907
90; 90; 90
1396.2Long, 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 CIFC15 H20 O4P 21 21 218.2975; 12.0102; 13.9497
90; 90; 90
1390.15Liu, 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 CIFC15 H23 Cl Cu N6 O2 SP 1 21/c 19.3959; 19.8889; 10.9744
90; 108.366; 90
1946.37Ohui, 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 CIFC15 H23 N O3P 21 21 2111.012; 11.015; 12.183
90; 90; 90
1477.8Long, 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 CIFC15 H33 N O5 SC 1 2 117.9092; 6.1043; 17.9815
90; 102.833; 90
1916.7Maolanon, 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 CIFC16 H10 N3P 1 21/c 115.046; 9.845; 16.267
90; 98.773; 90
2381.4Tan, 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 CIFC16 H14 I N5P 1 21 18.499; 8.394; 11.73
90; 104.19; 90
811.292Scheuermann, 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 CIFC16 H14 N4 O SP 1 21/c 116.7856; 5.4114; 16.1237
90; 100.73; 90
1438.97Hall, 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 CIFC16 H15 N O2 SP 21 21 219.29143; 10.36338; 14.7858
90; 90; 90
1423.73Yoneda, 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
1553258 CIFC16 H20 O5P 43 21 28.0784; 8.0784; 45.237
90; 90; 90
2952.2Das, 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 CIFC16 H20 O5P 1 21 17.7904; 11.4929; 16.2869
90; 103.739; 90
1416.5Das, 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 CIFC16 H22 Ga N11 O4 S2P -19.3441; 9.7491; 12.9501
102.437; 95.239; 96.569
1136.26Kowol, 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 CIFC16 H23 N5 O2 SP 1 21/c 113.3622; 5.8899; 21.414
90; 91.631; 90
1684.6Ohui, 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 CIFC16 H28 N4 O10 PtP 21 21 218.9059; 11.2218; 22.076
90; 90; 90
2206.3Varbanov, 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 CIFC16 H31 N3 O11 PtP 1 21/n 113.8623; 8.618; 18.7397
90; 97.841; 90
2217.81Varbanov, 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 CIFC16 H38 Cl2 N6 O2 PtP -17.336; 8.228; 10.622
83.82; 103.76; 103.21
605.3Marzano, 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 CIFC17 H17 Cl F3 N5 SP -16.853; 9.4417; 14.5253
95.002; 90.639; 104.895
904.26Ogasawara, 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 CIFC17 H18 N4 O2 SP -18.187; 10.274; 11.169
116.031; 92.445; 108.955
779.2Ivachtchenko, 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 CIFC17 H19 Cl F3 N OP c a b10.457; 10.387; 32.345
90; 90; 90
3513.21Robertson, 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 CIFC17 H24 Br N O4 SiP 21 21 216.5913; 15.0012; 20.319
90; 90; 90
2009.1Xin, 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 CIFC17 H26 N2 O2P 1 21 16.6457; 10.369; 11.3174
90; 92.645; 90
779.04Fox, 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 CIFC17 H28 Cl2 N3 O P RuP 1 n 16.6343; 20.033; 15.188
90; 97.73; 90
2000.2Casini, 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 CIFC17.75 H23 F N3 O4.75 SP 1 21 112.14978; 26.7382; 23.8054
90; 94.0929; 90
7713.78Zhao, 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 CIFC18 H15 N3P 1 21/c 115.885; 7.4464; 25.627
90; 104.762; 90
2931.3Fu, 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 CIFC18 H17 Cl2 F N4 OP 1 21/c 18.1141; 10.4273; 22.6565
90; 108.576; 90
1817.1Yu, 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 CIFC18 H18 Cu N6 S2P b c n31.372; 7.5677; 7.9918
90; 90; 90
1897.4Palanimuthu, 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 CIFC18 H18 N4 O4 SP 1 21/n 113.6739; 17.3161; 14.9225
90; 98.051; 90
3498.5Hall, 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 CIFC18 H19 N3 O3P 1 21/n 113.4672; 5.79643; 20.7574
90; 97.299; 90
1607.23Seal, 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 CIFC18 H20 N4 O2 SP 1 21/n 18.7051; 16.7415; 11.6695
90; 98.996; 90
1679.75Ivachtchenko, 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 CIFC18 H20 O5P 1 21/c 110.834; 11.623; 13.511
90; 104; 90
1650.8Messaoudi, 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 CIFC18 H21 N5 O SP 1 21/n 17.1287; 15.0536; 16.4704
90; 97.81; 90
1751.09Ohui, 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 CIFC18 H24 B2 F8 N6 RuP 1 21/c 18.4268; 13.5307; 19.9593
90; 91.305; 90
2275.2Vock, 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 CIFC18 H26 B10 OP 1 21/n 117.7571; 6.5335; 18.0351
90; 95.656; 90
2082.2Beer, Michael L.; Lemon, Jennifer; Valliant, John F.
Preparation and evaluation of carborane analogues of tamoxifen.
Journal of medicinal chemistry, 2010, 53, 8012-8020
1508253 CIFC18 H27 F2 N O5C 1 2 113.6384; 7.1514; 19.5985
90; 101.048; 90
1876.09Yu, 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 CIFC18 H28 Cl2 N4 O RuP -17.8903; 9.5995; 14.1039
78.964; 87.859; 86.905
1046.59Vock, 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 CIFC18.75 H26 Cl Ir N5 O0.75P b c a11.78544; 14.43434; 23.04719
90; 90; 90
3920.67Chen, 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 CIFC19 H12 Br N O4P b c a7.513; 13.49; 32.45
90; 90; 90
3289Kundu, 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 CIFC19 H16 F6 N2 O3P 1 21/n 19.449; 19.372; 21.3178
90; 97.644; 90
3867.5Hassan, 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 CIFC19 H19 Cl2 N3 O3P -19.12; 10.251; 11.299
71.757; 74.66; 80.836
964.1Magedov, 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 CIFC19 H23 Cl F N O4 SP 1 21/c 122.01; 9.223; 9.454
90; 100.101; 90
1889.4Focken, 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 CIFC19 H24 Cl Cu N5 O2 SP 1 21/c 116.5043; 17.7857; 7.1311
90; 96.241; 90
2080.9Ohui, 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 CIFC19 H27 F N2 O3P 21 21 219.907; 10.077; 19.678
90; 90; 90
1964.51Saitton, 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 CIFC19 H27 N4 O2.5C 1 2/c 113.2127; 14.571; 37.9181
90; 94.572; 90
7276.8Vernekar, 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 CIFC19 H28 B10 OC 1 2 124.701; 6.5249; 18.081
90; 131.621; 90
2178.5Beer, Michael L.; Lemon, Jennifer; Valliant, John F.
Preparation and evaluation of carborane analogues of tamoxifen.
Journal of medicinal chemistry, 2010, 53, 8012-8020
1502674 CIFC19 H28 N4 O3P -17.3381; 10.1087; 13.655
74.375; 75.612; 70.157
903.66Vernekar, 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 CIFC19 H29 N O5P 1 21 16.866; 19.559; 7.04
90; 97.132; 90
938.1Simoni, 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 CIFC19 H31 Cl3 N2 OP 1 21 110.3558; 6.8232; 14.7816
90; 94.469; 90
1041.29Mahaney, 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 CIFC20 H14 Cl F N2 O5P 21 21 215.32926; 10.77905; 31.3253
90; 90; 90
1799.46Crosignani, 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 CIFC20 H15 Cl N2 O5P 21 21 215.3438; 10.7546; 32.137
90; 90; 90
1846.9Crosignani, 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 CIFC20 H17 Cl2 N3 O3P 1 21/n 110.138; 14.487; 25.836
90; 96.065; 90
3773Tan, 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 CIFC20 H17 N3P 1 21/c 117.171; 7.611; 25.394
90; 95.737; 90
3302.1Fu, 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 CIFC20 H19 N O3P 1 21/c 117.0295; 10.2484; 9.8976
90; 103.468; 90
1679.88Singh, 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 CIFC20 H20 F8 N4 O5 SP 1 21 16.12766; 20.247; 10.0261
90; 94.623; 90
1239.86Zhang, 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 CIFC20 H21 Cl4 Cu2 N10 O1.5 S2P -18.827; 10.796; 16.59
72.92; 85.5; 66.58
1385.4Tardito, 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 CIFC20 H24 Cl N O4P 1 21/n 122.7581; 7.6989; 23.0256
90; 113.649; 90
3695.56Xu, 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 CIFC20 H24 Cl2 N2 O9 PtP -18.9038; 12.4327; 12.8543
62.59; 82.906; 72.039
1201.4Ang, 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 CIFC20.33333 H16.33333 Cl3 F3 N3 O2P 1 21/c 121.8663; 13.134; 23.2675
90; 94.217; 90
6664.1Tan, 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 CIFC21 H17 Br F3 N3 O3P 21 21 2110.3211; 19.696; 21.463
90; 90; 90
4363.1Shi, 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 CIFC21 H17 Cl2 N3 O2C 1 2/c 119.6265; 12.6274; 17.4555
90; 120.196; 90
3739Tan, 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 CIFC21 H18 Br2 F N3 OP 21 21 219.716; 23.201; 4.2513
90; 90; 90
1944.7Naidoo, 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 CIFC21 H21 Cl2 N3 O4P 1 21 112.9023; 12.742; 18.9596
90; 103.842; 90
3026.5Tan, 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 CIFC21 H23 F3 N4 O2 S2P 1 21/n 117.147; 12.1241; 21.6325
90; 97.3465; 90
4460.3Focken, 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 CIFC21 H23 N3 O2P -17.9246; 8.7859; 28.0323
87.074; 85.771; 73.203
1862.5Diaz, 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 CIFC21 H24 N2 O5P 1 21 16.6665; 5.7707; 25.533
90; 95.15; 90
978.3Robins, 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 CIFC21 H24 O5P 21 21 214.9653; 10.6228; 34.2129
90; 90; 90
1804.57Jiang, 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 CIFC21 H24 O6P 1 21 19.7642; 8.0842; 11.694
90; 98.007; 90
914.1Li, 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 CIFC21 H24 O8 SP 21 21 219.8274; 11.5318; 17.6885
90; 90; 90
2004.6Li, 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 CIFC21 H25 F N O2.5C 1 2/c 121.457; 5.787; 29.727
90; 98.372; 90
3652Li, 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 CIFC21 H25 F N6 O3P 1 21 19.9016; 10.9184; 19.2975
90; 102.826; 90
2034.19Grillot, 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 CIFC21 H25 F2 N3 O2P 21 21 217.5165; 8.0959; 24.661
90; 90; 90
1500.7Das, 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 CIFC21 H26 F2 O4P 1 21/c 120.784; 10.63; 8.5364
90; 90.131; 90
1886Han, 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 CIFC21 H28 O2 SP 21 21 2111.153; 12.65; 12.94
90; 90; 90
1825.6Veleiro, 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 CIFC21 H28 O3P 21 21 2110.405; 16.508; 20.85
90; 90; 90
3581.3Veleiro, 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 CIFC21 H30 F3 N O3P 21 21 218.1766; 10.4313; 23.7612
90; 90; 90
2026.65Woods, 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 CIFC21 H33 Cl N8 O7 Pt SP -110.6463; 10.9812; 13.1259
90.642; 99.622; 113.788
1379.1Guddneppanavar, 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 CIFC21 H34 N2 O3C 1 2 119.155; 5.871; 19.432
90; 96.031; 90
2173.2Gomtsyan, 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 CIFC22 H17 F O3 SP -15.7185; 11.8378; 13.7061
79.111; 86.121; 80.29
897.45Xiong, 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 CIFC22 H17 N5 O2P 1 21/c 110.8951; 20.05; 8.6412
90; 90.16; 90
1887.6Schmid, 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 CIFC22 H20 Cu N2 O2P -19.242; 10.288; 14.494
77.219; 84.291; 80.289
1321.9Tardito, 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 CIFC22 H21 N3 O4C 1 2/c 117.16; 8.241; 28.64
90; 105.34; 90
3905.8Zhu, 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 CIFC22 H25 N3 O3P -18.3877; 8.4043; 15.1821
100.357; 103.537; 101.37
991Diaz, 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 CIFC22 H26 N2 O3P c c n21.4182; 22.3478; 9.3093
90; 90; 90
4455.89Hassan, 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 CIFC22 H26 O7P 1 21 18.4083; 10.1331; 11.461
90; 94.736; 90
973.2Ding, 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 CIFC22 H27 N3 O5P 1 21 16.6883; 5.6677; 27.611
90; 95.9; 90
1041.1Robins, 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 CIFC22 H28 O4P 21 21 216.1077; 15.287; 21.901
90; 90; 90
2044.9Zhang, 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 CIFC22 H29 N O6P 1 21 114.443; 5.797; 15.243
90; 115.4; 90
1152.9Saquib, 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 CIFC22 H32 Cl2 N2 O6 PtP 1 21/c 17.7485; 18.294; 18.356
90; 92.129; 90
2600.2Ang, 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 CIFC23 H21 F4 N O4P -18.8822; 9.7444; 12.9675
76.306; 72.48; 89.873
1036.98Deng, 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 CIFC23 H22 Fe N2 O2P 1 21/c 122.584; 7.59176; 10.5047
90; 92.039; 90
1799.91Patra, 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 CIFC23 H23 N O4P 1 21/c 112.8609; 16.719; 8.987
90; 99.434; 90
1906.3Zhang, 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 CIFC23 H24 Fe N2 OP -17.455; 10.3389; 13.2992
72.296; 81.3454; 78.354
952.04Patra, 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 CIFC23 H25 Cl F6 N3 O P RuP 1 21/n 19.887; 18.473; 14.002
90; 104.589; 90
2474.9Chow, 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 CIFC23 H25 N2 O6 ReP -19.569; 9.937; 12.748
89.068; 68.454; 84.701
1122.4Li, 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 CIFC23 H27 F2 N5 O2C 1 2 136.459; 8.6753; 13.8617
90; 98.333; 90
4338.1Huestis, 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 CIFC23 H27 N O4P 1 21 110.0156; 6.613; 15.9543
90; 91.121; 90
1056.5Zhang, 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 CIFC23 H28 F N5 O2P -19.8391; 11.1859; 11.8823
72.632; 89.776; 64.843
1118.23Huestis, 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 CIFC23 H28.5 Cl1.5 N8 O0.25 S2 ZnC 1 2/c 114.257; 11.4474; 17.156
90; 108.496; 90
2655.3Gilleran, 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 CIFC23 H29 Cl O5P 1 21 124.8351; 7.171; 25.5947
90; 93.822; 90
4548.1Luo, 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 CIFC23 H29 Cl O5P 16.1316; 11.209; 16.0507
90.884; 100.853; 93.813
1080.58Luo, 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 CIFC23 H30 O7P 1 21 18.8996; 12.0769; 10.5206
90; 90.695; 90
1130.67Luo, 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 CIFC23 H31 Cl O4P 1 21 16.7959; 36.5395; 8.7513
90; 98.87; 90
2147.12Luo, 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 CIFC23 H31 Cl O4P 1 21 17.1951; 40.1443; 15.3671
90; 96.963; 90
4405.9Luo, 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 CIFC23 H31 Cl O5P 115.1437; 17.4925; 19.3925
105.337; 92.858; 113.621
4467.9Luo, 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 CIFC23 H31 F N3 O10 PC 1 2 130.024; 7.0591; 13.29
90; 101.32; 90
2761.9Peng, 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 CIFC23 H32 O4P 1 21 17.6632; 12.1003; 21.8916
90; 94.348; 90
2024.1Luo, 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 CIFC23 H32 O8P 21 21 216.3428; 10.563; 31.962
90; 90; 90
2141.4Simpson, 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 CIFC23 H33 Cl O5P 32 2 111.4588; 11.4588; 28.4455
90; 90; 120
3234.61Luo, 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 CIFC23 H34 Cu2 Fe N14 O11 S2P 1 21/n 113.946; 7.163; 18.389
90; 93.37; 90
1833.8Belicchi-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 CIFC23 H36 Cl Cu N5 O8P b c a21.134; 10.7258; 23.111
90; 90; 90
5238.8Sprague, 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 CIFC24 H21 Cl N4 O6P -19.0566; 12.7489; 12.9111
110.172; 103.14; 105.713
1259.3Bollini, 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 CIFC24 H22 Cl5 N3 O3P -19.9578; 11.0634; 12.0224
82.132; 78.467; 81.112
1274.4Tan, 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 CIFC24 H26 N2 O4P 1 21 111.4081; 16.2769; 12.6451
90; 116.589; 90
2099.7Mir, 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 CIFC24 H26 N2 O5P 21 21 215.3744; 13.834; 28.1059
90; 90; 90
2089.7Mir, 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 CIFC24 H27 Cl Cu N6 O PP 1 21/n 18.343; 15.605; 20.06
90; 95.36; 90
2600.2Gandin, 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 CIFC24 H30 Cl2 N4 O6 PtP -17.8196; 12.2969; 16.4366
81.492; 77.063; 88.498
1523.4Ang, 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 CIFC24 H37 Cl N8 O6 Pt SP -17.266; 11.8032; 17.193
95.598; 92.629; 94.082
1461.7Guddneppanavar, 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 CIFC24 H38 Cl2 N4 RuP -18.563; 13.044; 13.243
110.87; 98.93; 95.91
1345.2Vock, 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 CIFC24 H39.5 Cl N8 O8.25 Pt SP 1 21 110.509; 31.892; 10.564
90; 117.63; 90
3137Guddneppanavar, 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 CIFC25 H22 Cl5 N2 P PdP 1 21/n 113.102; 14.328; 15.347
90; 111.72; 90
2676.5Lease, 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 CIFC25 H22 N2 O4P 1 21 16.2608; 27.9762; 11.5615
89.99; 90.002; 89.995
2025.04Zhang, 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 CIFC25 H23 F4 N5 O5P 110.1492; 10.1392; 25.2626
96.515; 96.515; 107.35
2435.42Yang, 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 CIFC25 H24 N2 O3P 21 21 2112.237; 12.4525; 13.7714
90; 90; 90
2098.5Tabata, 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 CIFC25 H26 Fe N2 O2P c a 2119.7267; 5.7377; 36.268
90; 90; 90
4105Patra, 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 CIFC25 H31 N O2P 1 21 15.4583; 10.396; 19.0896
90; 98.026; 90
1072.62Qin, 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 CIFC25 H52 Gd N5 O10 SP -18.0364; 10.4906; 21.799
76.573; 86.307; 88.816
1783.8Raghunand, 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 CIFC26 H20 F N5 O2P -17.7758; 10.3458; 14.6505
71.053; 75.006; 80.624
1072.75Zhao, 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 CIFC26 H22 Br3 Cu3 N8 S4C 1 2/c 110.7395; 16.0006; 18.9882
90; 96.286; 90
3243.3Gou, 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 CIFC26 H22 Cu2 N10 O6 S4P -17.9731; 9.8264; 10.9176
76.501; 85.908; 73.399
797.05Gou, 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 CIFC26 H23 Br N6 OP -112.22; 12.7328; 16.424
76.485; 82.598; 67.698
2296.6Wittmann, 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 CIFC26 H23 N3 O3P -17.738; 10.534; 14.044
70.163; 86.367; 81.901
1065.9Wu, 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 CIFC26 H24 N2 O2P 1 21/c 110.2122; 16.083; 12.5447
90; 104.737; 90
1992.6Wu, 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 CIFC26 H26 F6 Ir N2 PP 1 21/c 115.2558; 10.7013; 15.9682
90; 110.221; 90
2446.2Carrasco, 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 CIFC26 H26 N2 O2P 21 21 2111.2339; 11.6808; 16.4783
90; 90; 90
2162.3Trapella, 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 CIFC26 H28 N4 O5P 4111.7728; 11.7728; 17.1159
90; 90; 90
2372.2Yang, 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 CIFC26 H30 F3 N7 O9P 15.0591; 10.9615; 13.2
103.037; 90.846; 90.3108
713.03Policarpo, 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 CIFC26 H36 Cl2 N2 O6 PtI 1 2/a 123.951; 7.8455; 32.732
90; 110.353; 90
5766.6Ang, 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 CIFC26.5 H33 N O6.5P 1 21 15.1805; 17.2642; 28.104
90; 92.234; 90
2511.63Auzzas, 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 CIFC27 H23 Cl3 N4 O2P 21 21 2111.1695; 11.2252; 20.0044
90; 90; 90
2508.1Yan, 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 CIFC27 H25 Au N O5 P SP -110.218; 12.489; 12.62
106.208; 112.512; 104.97
1302Gunatilleke, 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 CIFC27 H25 Cl3 F8 Ir N2 PP -18.8857; 11.9211; 14.3535
84.168; 86.455; 75.92
1466.03Carrasco, 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 CIFC27 H26 Cl2 N2 RuP 1 21/c 114.34; 12.4234; 15.156
90; 117.502; 90
2394.9Vock, 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
1553254 CIFC27 H28 Br N5 O3P 1 21 113.774; 18.775; 10.658
90; 110.084; 90
2588.6Xue, 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 CIFC27 H29 N5 O3P 18.6537; 8.8678; 16.7811
77.756; 82.545; 68.655
1170.2Guo, 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 CIFC27 H32 N2 O4P 1 21/c 19.41991; 10.1144; 23.7285
90; 91.6653; 90
2259.82Zhang, 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 CIFC27.75 H28.75 Cl2.25 F6 Ir N2 PP -18.8214; 12.811; 13.5282
81.1829; 82.9683; 87.8789
1499.15Carrasco, 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 CIFC28 H26 F6 Ir N2 PP 1 21/c 115.8944; 10.8142; 15.7843
90; 111.606; 90
2522.46Carrasco, 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 CIFC28 H27 N3 O7P 21 21 217.22366; 16.5577; 20.6478
90; 90; 90
2469.63Wang, 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 CIFC28 H28 Br Cl Cu N6 O2P 1 21/c 116.1127; 8.9758; 19.2463
90; 103.825; 90
2702.85Wittmann, 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 CIFC28 H28 Cl Cu N6 O1.5P 1 21/c 115.0147; 34.2629; 10.2999
90; 107.565; 90
5051.7Wittmann, 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 CIFC28 H35 N O6P 21 21 218.6763; 14.897; 20.9747
90; 90; 90
2711Vyavahare, 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 CIFC28 H37 Cl N8 O10 Pt SP -114.4746; 18.7922; 19.543
103.44; 98.838; 95.471
5061.2Guddneppanavar, 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 CIFC28 H38 N O6 PP 16.413; 13.141; 17.092
82.02; 86.3; 76.29
1385.1Albert, 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 CIFC28 H46 Fe2 N22 O13 S4C 1 2/c 19.2033; 23.0998; 21.2104
90; 92.473; 90
4505Kowol, 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 CIFC29 H28 N4 O6P 1 21 115.4258; 8.2007; 20.1539
90; 98.481; 90
2521.64Wang, 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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