Crystallography Open Database

Result: there are 271 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'Journal of Medicinal Chemistry'

Left arrow Left arrow First | Left arrow Previous 100 | of 3 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Up arrow Links Formula Blue up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
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

Left arrow Left arrow First | Left arrow Previous 100 | of 3 | Next 100 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!