Crystallography Open Database
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Searching journal of publication like 'Journal of medicinal chemistry'
COD ID  |
Links | Formula |
Space group |
Cell parameters | Cell volume  |
Bibliography |
|---|---|---|---|---|---|---|
| 1503670 | CIF | C9 H12 N4 S | P -1 | 7.3747; 7.4532; 9.6324 97.192; 109.63; 95.02 | 489.97 | Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K. Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation. Journal of medicinal chemistry, 2009, 52, 5032-5043 |
| 1505034 | CIF | C9 H17 N O4 | P 1 21 1 | 7.1718; 6.9079; 10.864 90; 107.338; 90 | 513.77 | Vyavahare, Vinod P.; Chakraborty, Chaitali; Maity, Biswanath; Chattopadhyay, Subrata; Puranik, Vedavati G.; Dhavale, Dilip D. Synthesis of 1-deoxy-1-hydroxymethyl- and 1-deoxy-1-epi-hydroxymethyl castanospermine as new potential immunomodulating agents. Journal of medicinal chemistry, 2007, 50, 5519-5523 |
| 1566550 | CIF | C12 H16 N2 O2 | P -1 | 7.7366; 7.9072; 10.7395 99.872; 102.594; 113.64 | 562.21 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1502665 | CIF | C16 H38 Cl2 N6 O2 Pt | P -1 | 7.336; 8.228; 10.622 83.82; 103.76; 103.21 | 605.3 | Marzano, Cristina; Mazzega Sbovata, Silvia; Gandin, Valentina; Colavito, Davide; Del Giudice, Elda; Michelin, Rino A.; Venzo, Alfonso; Seraglia, Roberta; Benetollo, Franco; Schiavon, Mariano; Bertani, Roberta A new class of antitumor trans-amine-amidine-Pt(II) cationic complexes: influence of chemical structure and solvent on in vitro and in vivo tumor cell proliferation. Journal of medicinal chemistry, 2010, 53, 6210-6227 |
| 1505018 | CIF | C9 H11 Cl2 Cu N5 S | P -1 | 8.649; 9.313; 9.371 68.69; 71.86; 79.27 | 666 | Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells. Journal of medicinal chemistry, 2007, 50, 1916-1924 |
| 1505032 | CIF | C30 H48 N2 O3 | P 1 | 6.135; 6.77; 17.17 92.3; 97.87; 99.35 | 695.6 | Sauvaître, Thibault; Barlier, Mireille; Herlem, Denyse; Gresh, Nohad; Chiaroni, Angèle; Guenard, Daniel; Guillou, Catherine New potent acetylcholinesterase inhibitors in the tetracyclic triterpene series. Journal of medicinal chemistry, 2007, 50, 5311-5323 |
| 1508520 | CIF | C7 H17 Cl2 F3 N2 O4 Pt | P -1 | 6.1836; 8.0658; 15.5374 102.217; 92.75; 108.655 | 711.98 | Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K. Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity. Journal of medicinal chemistry, 2012, 55, 11052-11061 |
| 1552489 | CIF | C26 H30 F3 N7 O9 | P 1 | 5.0591; 10.9615; 13.2 103.037; 90.846; 90.3108 | 713.03 | Policarpo, Rocco L.; Decultot, Ludovic; May, Elizabeth; Kuzmič, Petr; Carlson, Samuel; Huang, Danny; Chu, Vincent; Wright, Brandon A.; Dhakshinamoorthy, Saravanakumar; Kannt, Aimo; Rani, Shilpa; Dittakavi, Sreekanth; Panarese, Joseph D.; Gaudet, Rachelle; Shair, Matthew D. High-Affinity Alkynyl Bisubstrate Inhibitors of Nicotinamide <i>N</i>-Methyltransferase (NNMT). Journal of medicinal chemistry, 2019 |
| 1561876 | CIF | C13 H11 Cl Cu N4 S2 | P -1 | 8.6462; 9.7989; 10.1011 68.887; 71.065; 82.137 | 755 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
| 1503664 | CIF | C17 H26 N2 O2 | P 1 21 1 | 6.6457; 10.369; 11.3174 90; 92.645; 90 | 779.04 | Fox, David J.; Reckless, Jill; Lingard, Hannah; Warren, Stuart; Grainger, David J. Highly potent, orally available anti-inflammatory broad-spectrum chemokine inhibitors. Journal of medicinal chemistry, 2009, 52, 3591-3595 |
| 1502659 | CIF | C17 H18 N4 O2 S | P -1 | 8.187; 10.274; 11.169 116.031; 92.445; 108.955 | 779.2 | Ivachtchenko, Alexandre V.; Dmitriev, Dmitri E.; Golovina, Elena S.; Kadieva, Madina G.; Koryakova, Angela G.; Kysil, Volodymyr M.; Mitkin, Oleg D.; Okun, Ilya M.; Tkachenko, Sergey E.; Vorobiev, Anton A. (3-Phenylsulfonylcycloalkano[e and d]pyrazolo[1,5-a]pyrimidin-2-yl)amines: potent and selective antagonists of the serotonin 5-HT6 receptor. Journal of medicinal chemistry, 2010, 53, 5186-5196 |
| 1561877 | CIF | C26 H22 Cu2 N10 O6 S4 | P -1 | 7.9731; 9.8264; 10.9176 76.501; 85.908; 73.399 | 797.05 | Gou, Yi; Chen, MeiRong; Li, Shanhe; Deng, JunGang; Li, Jinlong; Fang, GuiHua; Yang, Feng; Huang, GuoJin Dithiocarbazate-Copper Complexes for Bioimaging and Treatment of Pancreatic Cancer. Journal of medicinal chemistry, 2021 |
| 1529317 | CIF | C16 H14 I N5 | P 1 21 1 | 8.499; 8.394; 11.73 90; 104.19; 90 | 811.292 | Scheuermann, Thomas H.; Stroud, Daniel; Sleet, Christopher E.; Bayeh, Liela; Shokri, Cameron; Wang, Hanzhi; Caldwell, Charles G.; Longgood, Jamie; MacMillan, John B.; Bruick, Richard K.; Gardner, Kevin H.; Tambar, Uttam K. Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2. Journal of medicinal chemistry, 2015, 58, 5930-5941 |
| 1566546 | CIF | C32 H39 Cl3 Cu N8 O3 | P 1 | 7.2313; 9.2604; 14.1201 78.16; 77.214; 70.423 | 859.9 | Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B. Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile. Journal of medicinal chemistry, 2022, 65, 2238-2261 |
| 1553267 | CIF | C12 H22 Cl Cu N5 O4 S | P -1 | 9.2626; 9.5087; 11.0617 89.565; 76.519; 67.742 | 873.29 | Ohui, Kateryna; Afanasenko, Eleonora; Bacher, Felix; Ting, Rachel Lim Xue; Zafar, Ayesha; Blanco-Cabra, Núria; Torrents, Eduard; Dömötör, Orsolya; May, Nóra V; Darvasiova, Denisa; Enyedy, Éva A; Popović-Bijelić, Ana; Reynisson, Jóhannes; Rapta, Peter; Babak, Maria V.; Pastorin, Giorgia; Arion, Vladimir B. New Water-Soluble Copper(II) Complexes with Morpholine-Thiosemicarbazone Hybrids: Insights into the Anticancer and Antibacterial Mode of Action. Journal of medicinal chemistry, 2019, 62, 512-530 |
| 1505035 | CIF | C10 H4 O2 S2 | P 1 21/c 1 | 8.96; 14.8156; 6.7569 90; 102.962; 90 | 874.11 | Hyatt, Janice L.; Wadkins, Randy M.; Tsurkan, Lyudmila; Hicks, Latorya D.; Hatfield, M. Jason; Edwards, Carol C.; Ross, 2nd, Charles R; Cantalupo, Stephanie A.; Crundwell, Guy; Danks, Mary K.; Guy, R. Kip; Potter, Philip M. Planarity and constraint of the carbonyl groups in 1,2-diones are determinants for selective inhibition of human carboxylesterase 1. Journal of medicinal chemistry, 2007, 50, 5727-5734 |
| 1553279 | CIF | C9 H7 Cl N4 | P 1 21/n 1 | 8.2465; 6.6263; 16.392 90; 97.969; 90 | 887.07 | Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. Journal of medicinal chemistry, 2018, 61, 9347-9359 |
| 1508820 | CIF | C12 H22 Cl2 N2 O8 Pt | P -1 | 8.2185; 10.0375; 12.4165 67.002; 71.136; 84.577 | 891.63 | Varbanov, Hristo P.; Jakupec, Michael A.; Roller, Alexander; Jensen, Frank; Galanski, Markus; Keppler, Bernhard K. Theoretical Investigations and Density Functional Theory Based Quantitative Structure-Activity Relationships Model for Novel Cytotoxic Platinum(IV) Complexes. Journal of medicinal chemistry, 2013, 56, 330-344 |
| 1542365 | CIF | C22 H17 F O3 S | P -1 | 5.7185; 11.8378; 13.7061 79.111; 86.121; 80.29 | 897.45 | Xiong, Rui; Patel, Hitisha K.; Gutgesell, Lauren M.; Zhao, Jiong; Delgado-Rivera, Loruhama; Pham, Thao N. D.; Zhao, Huiping; Carlson, Kathryn; Martin, Teresa; Katzenellenbogen, John A.; Moore, Terry W.; Tonetti, Debra A.; Thatcher, Gregory R. J. Selective Human Estrogen Receptor Partial Agonists (ShERPAs) for Tamoxifen-Resistant Breast Cancer. Journal of medicinal chemistry, 2016, 59, 219-237 |
| 1502674 | CIF | C19 H28 N4 O3 | P -1 | 7.3381; 10.1087; 13.655 74.375; 75.612; 70.157 | 903.66 | Vernekar, Sanjeev Kumar V.; Hallaq, Hasan Y.; Clarkson, Guy; Thompson, Andrew J.; Silvestri, Linda; Lummis, Sarah C. R.; Lochner, Martin Toward biophysical probes for the 5-HT3 receptor: structure-activity relationship study of granisetron derivatives. Journal of medicinal chemistry, 2010, 53, 2324-2328 |
| 1552566 | CIF | C17 H17 Cl F3 N5 S | P -1 | 6.853; 9.4417; 14.5253 95.002; 90.639; 104.895 | 904.26 | Ogasawara, Daisuke; Ichu, Taka-Aki; Jing, Hui; Hulce, Jonathan J.; Reed, Alex; Ulanovskaya, Olesya A.; Cravatt, Benjamin F. Discovery and Optimization of Selective and in Vivo Active Inhibitors of the Lysophosphatidylserine Lipase α/β-Hydrolase Domain-Containing 12 (ABHD12). Journal of medicinal chemistry, 2019, 62, 1643-1656 |
| 1503668 | CIF | C21 H24 O6 | P 1 21 1 | 9.7642; 8.0842; 11.694 90; 98.007; 90 | 914.1 | Li, Zheng; Zhou, Zhao-Li; Miao, Ze-Hong; Lin, Li-Ping; Feng, Hui-Jin; Tong, Lin-Jiang; Ding, Jian; Li, Yuan-Chao Design and synthesis of novel C14-hydroxyl substituted triptolide derivatives as potential selective antitumor agents. Journal of medicinal chemistry, 2009, 52, 5115-5123 |
| 1506354 | CIF | C9 H8 I N O2 | P 1 21/c 1 | 4.1515; 16.0162; 14.1406 90; 97.411; 90 | 932.37 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
| 1506344 | CIF | C19 H29 N O5 | P 1 21 1 | 6.866; 19.559; 7.04 90; 97.132; 90 | 938.1 | Simoni, Daniele; Rossi, Marcello; Bertolasi, Valerio; Roberti, Marinella; Pizzirani, Daniela; Rondanin, Riccardo; Baruchello, Riccardo; Invidiata, Francesco Paolo; Tolomeo, Manlio; Grimaudo, Stefania; Merighi, Stefania; Varani, Katia; Gessi, Stefania; Borea, Pier Andrea; Marino, Silvia; Cavallini, Sabrina; Bianchi, Clementina; Siniscalchi, Anna Synthesis and pharmacology of 6-substituted benztropines: discovery of novel dopamine uptake inhibitors possessing low binding affinity to the dopamine transporter. Journal of medicinal chemistry, 2005, 48, 3337-3343 |
| 1508518 | CIF | C23 H24 Fe N2 O | P -1 | 7.455; 10.3389; 13.2992 72.296; 81.3454; 78.354 | 952.04 | Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation. Journal of medicinal chemistry, 2012, 55, 8790-8798 |
| 1504344 | CIF | C19 H19 Cl2 N3 O3 | P -1 | 9.12; 10.251; 11.299 71.757; 74.66; 80.836 | 964.1 | Magedov, Igor V.; Manpadi, Madhuri; Ogasawara, Marcia A.; Dhawan, Adriana S.; Rogelj, Snezna; Van Slambrouck, Severine; Steelant, Wim F. A.; Evdokimov, Nikolai M.; Uglinskii, Pavel Y.; Elias, Eerik M.; Knee, Erica J.; Tongwa, Paul; Antipin, Mikhail Yu; Kornienko, Alexander Structural simplification of bioactive natural products with multicomponent synthesis. 2. antiproliferative and antitubulin activities of pyrano[3,2-c]pyridones and pyrano[3,2-c]quinolones. Journal of medicinal chemistry, 2008, 51, 2561-2570 |
| 1507656 | CIF | C9 H11 N O Se | P 1 21/n 1 | 9.598; 8.166; 12.75 90; 103.19; 90 | 972.9 | Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties. Journal of medicinal chemistry, 2012, 55, 4652-4663 |
| 1513077 | CIF | C22 H26 O7 | P 1 21 1 | 8.4083; 10.1331; 11.461 90; 94.736; 90 | 973.2 | Ding, Chunyong; Zhang, Yusong; Chen, Haijun; Yang, Zhengduo; Wild, Christopher; Ye, Na; Ester, Corbin D.; Xiong, Ailian; White, Mark A.; Shen, Qiang; Zhou, Jia Oridonin Ring A-Based Diverse Constructions of Enone Functionality: Identification of Novel Dienone Analogues Effective for Highly Aggressive Breast Cancer by Inducing Apoptosis Journal of Medicinal Chemistry, 2013, 56, 8814 |
| 1505030 | CIF | C21 H24 N2 O5 | P 1 21 1 | 6.6665; 5.7707; 25.533 90; 95.15; 90 | 978.3 | Robins, Morris J.; Nowak, Ireneusz; Rajwanshi, Vivek K.; Miranda, Karl; Cannon, John F.; Peterson, Matt A.; Andrei, Graciela; Snoeck, Robert; De Clercq, Erik; Balzarini, Jan Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core. Journal of medicinal chemistry, 2007, 50, 3897-3905 |
| 1503663 | CIF | C22 H25 N3 O3 | P -1 | 8.3877; 8.4043; 15.1821 100.357; 103.537; 101.37 | 991 | Diaz, Philippe; Phatak, Sharangdhar S.; Xu, Jijun; Astruc-Diaz, Fanny; Cavasotto, Claudio N.; Naguib, Mohamed 6-Methoxy-N-alkyl isatin acylhydrazone derivatives as a novel series of potent selective cannabinoid receptor 2 inverse agonists: design, synthesis, and binding mode prediction. Journal of medicinal chemistry, 2009, 52, 433-444 |
| 1505016 | CIF | C14 H14 Cl4 Cu2 N10 | P 1 21/a 1 | 8.346; 14.28; 8.376 90; 93.43; 90 | 996.5 | Tardito, Saverio; Bussolati, Ovidio; Maffini, Monica; Tegoni, Matteo; Giannetto, Marco; Dall'asta, Valeria; Franchi-Gazzola, Renata; Lanfranchi, Maurizio; Pellinghelli, Maria Angela; Mucchino, Claudio; Mori, Giovanni; Marchio, Luciano Thioamido coordination in a thioxo-1,2,4-triazole copper(II) complex enhances nonapoptotic programmed cell death associated with copper accumulation and oxidative stress in human cancer cells. Journal of medicinal chemistry, 2007, 50, 1916-1924 |
| 1506353 | CIF | C23 H21 F4 N O4 | P -1 | 8.8822; 9.7444; 12.9675 76.306; 72.48; 89.873 | 1036.98 | Deng, Bo-Liang; Hartman, Tracy L.; Buckheit, Jr, Robert W; Pannecouque, Christophe; De Clercq, Erik; Fanwick, Phillip E.; Cushman, Mark Synthesis, anti-HIV activity, and metabolic stability of new alkenyldiarylmethane HIV-1 non-nucleoside reverse transcriptase inhibitors. Journal of medicinal chemistry, 2005, 48, 6140-6155 |
| 1505029 | CIF | C22 H27 N3 O5 | P 1 21 1 | 6.6883; 5.6677; 27.611 90; 95.9; 90 | 1041.1 | Robins, Morris J.; Nowak, Ireneusz; Rajwanshi, Vivek K.; Miranda, Karl; Cannon, John F.; Peterson, Matt A.; Andrei, Graciela; Snoeck, Robert; De Clercq, Erik; Balzarini, Jan Synthesis and antiviral evaluation of 6-(alkyl-heteroaryl)furo[2,3-d]pyrimidin-2(3H)-one nucleosides and analogues with ethynyl, ethenyl, and ethyl spacers at C6 of the furopyrimidine core. Journal of medicinal chemistry, 2007, 50, 3897-3905 |
| 1504346 | CIF | C19 H31 Cl3 N2 O | P 1 21 1 | 10.3558; 6.8232; 14.7816 90; 94.469; 90 | 1041.29 | Mahaney, Paige E.; Gavrin, Lori K.; Trybulski, Eugene J.; Stack, Gary P.; Vu, T. An; Cohn, Stephen T.; Ye, Fei; Belardi, Justin K.; Santilli, Arthur A.; Sabatucci, Joseph P.; Leiter, Jennifer; Johnston, Grace H.; Bray, Jenifer A.; Burroughs, Kevin D.; Cosmi, Scott A.; Leventhal, Liza; Koury, Elizabeth J.; Zhang, Yingru; Mugford, Cheryl A.; Ho, Douglas M.; Rosenzweig-Lipson, Sharon J; Platt, Brian; Smith, Valerie A.; Deecher, Darlene C. Structure-activity relationships of the cycloalkanol ethylamine scaffold: discovery of selective norepinephrine reuptake inhibitors. Journal of medicinal chemistry, 2008, 51, 4038-4049 |
| 1505683 | CIF | C18 H28 Cl2 N4 O Ru | P -1 | 7.8903; 9.5995; 14.1039 78.964; 87.859; 86.905 | 1046.59 | Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J. Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes. Journal of medicinal chemistry, 2006, 49, 5552-5561 |
| 1545902 | CIF | C23 H27 N O4 | P 1 21 1 | 10.0156; 6.613; 15.9543 90; 91.121; 90 | 1056.5 | Zhang, Chen; Li, Fangqiong; Yu, Yan; Huang, Anbang; He, Ping; Lei, Ming; Wang, Jianmin; Huang, Longbin; Liu, Zhenhong; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of a Series of Novel Benzocyclobutene Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017 |
| 1553278 | CIF | C9 H7 Cl N6 | P 21 21 21 | 5.436; 9.003; 21.664 90; 90; 90 | 1060.2 | Tokarenko, Anna; Lišková, Barbora; Smoleń, Sabina; Táborská, Natálie; Tichý, Michal; Gurská, Soňa; Perlíková, Pavla; Frydrych, Ivo; Tloušt'ová, Eva; Znojek, Pawel; Mertlíková-Kaiserová, Helena; Poštová Slavětínská, Lenka; Pohl, Radek; Klepetářová, Blanka; Khalid, Noor-Ul-Ain; Wenren, Yiqian; Laposa, Rebecca R.; Džubák, Petr; Hajdúch, Marián; Hocek, Michal Synthesis and Cytotoxic and Antiviral Profiling of Pyrrolo- and Furo-Fused 7-Deazapurine Ribonucleosides. Journal of medicinal chemistry, 2018, 61, 9347-9359 |
| 1553255 | CIF | C12 H11 N O3 | P 21 21 21 | 6.917; 8.4769; 18.1729 90; 90; 90 | 1065.56 | Xue, Yu; Song, Peiran; Song, Zilan; Wang, Aoli; Tong, Linjiang; Geng, Meiyu; Ding, Jian; Liu, Qingsong; Sun, Liping; Xie, Hua; Zhang, Ao Discovery of 4,7-Diamino-5-(4-phenoxyphenyl)-6-methylene-pyrimido[5,4- b]pyrrolizines as Novel Bruton's Tyrosine Kinase Inhibitors. Journal of medicinal chemistry, 2018, 61, 4608-4627 |
| 1553264 | CIF | C26 H23 N3 O3 | P -1 | 7.738; 10.534; 14.044 70.163; 86.367; 81.901 | 1065.9 | Wu, Qiong; Zheng, Kangdi; Huang, Xiaoting; Li, Li; Mei, Wenjie Tanshinone-IIA-Based Analogues of Imidazole Alkaloid Act as Potent Inhibitors To Block Breast Cancer Invasion and Metastasis in Vivo. Journal of medicinal chemistry, 2018, 61, 10488-10501 |
| 1545900 | CIF | C25 H31 N O2 | P 1 21 1 | 5.4583; 10.396; 19.0896 90; 98.026; 90 | 1072.62 | Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics. Journal of medicinal chemistry, 2017, 60, 3606-3617 |
| 1553256 | CIF | C26 H20 F N5 O2 | P -1 | 7.7758; 10.3458; 14.6505 71.053; 75.006; 80.624 | 1072.75 | Zhao, Yujun; Zhou, Bing; Bai, Longchuan; Liu, Liu; Yang, Chao-Yie; Meagher, Jennifer L.; Stuckey, Jeanne A.; McEachern, Donna; Przybranowski, Sally; Wang, Mi; Ran, Xu; Aguilar, Angelo; Hu, Yang; Kampf, Jeff W.; Li, Xiaoqin; Zhao, Ting; Li, Siwei; Wen, Bo; Sun, Duxin; Wang, Shaomeng Structure-Based Discovery of CF53 as a Potent and Orally Bioavailable Bromodomain and Extra-Terminal (BET) Bromodomain Inhibitor. Journal of medicinal chemistry, 2018, 61, 6110-6120 |
| 1564802 | CIF | C23 H29 Cl O5 | P 1 | 6.1316; 11.209; 16.0507 90.884; 100.853; 93.813 | 1080.58 | Luo, Xiaowei; Cai, Guodi; Guo, Yinfeng; Gao, Chenghai; Huang, Weifeng; Zhang, Zhenhua; Lu, Humu; Liu, Kai; Chen, Jianghe; Xiong, Xiaofeng; Lei, Jinping; Zhou, Xuefeng; Wang, Junjian; Liu, Yonghong Exploring Marine-Derived Ascochlorins as Novel Human Dihydroorotate Dehydrogenase Inhibitors for Treatment of Triple-Negative Breast Cancer. Journal of medicinal chemistry, 2021, 64, 13918-13932 |
| 1561377 | CIF | C23 H28 F N5 O2 | P -1 | 9.8391; 11.1859; 11.8823 72.632; 89.776; 64.843 | 1118.23 | Huestis, Malcolm P.; Dela Cruz, Darlene; DiPasquale, Antonio G.; Durk, Matthew R.; Eigenbrot, Charles; Gibbons, Paul; Gobbi, Alberto; Hunsaker, Thomas L.; La, Hank; Leung, Dennis H.; Liu, Wendy; Malek, Shiva; Merchant, Mark; Moffat, John G.; Muli, Christine S.; Orr, Christine J.; Parr, Brendan T.; Shanahan, Frances; Sneeringer, Christopher J.; Wang, Weiru; Yen, Ivana; Yin, Jianping; Siu, Michael; Rudolph, Joachim Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a 5-Fluoro-4-(3<i>H</i>)-quinazolinone Aryl Urea pan-RAF Kinase Inhibitor. Journal of medicinal chemistry, 2021 |
| 1552562 | CIF | C10 H12 F2 N2 O5 | P 21 21 21 | 5.8735; 13.5166; 14.1374 90; 90; 90 | 1122.36 | Yoon, Ji-Seong; Kim, Gyudong; Jarhad, Dnyandev B.; Kim, Hong-Rae; Shin, Young-Sup; Qu, Shuhao; Sahu, Pramod K.; Kim, Hea Ok; Lee, Hyuk Woo; Wang, Su Bin; Kong, Yun Jeong; Chang, Tong-Shin; Ogando, Natacha S.; Kovacikova, Kristina; Snijder, Eric J.; Posthuma, Clara C.; van Hemert, Martijn J.; Jeong, Lak Shin Design, Synthesis, and Anti-RNA Virus Activity of 6'-Fluorinated-Aristeromycin Analogues. Journal of medicinal chemistry, 2019, 62, 6346-6362 |
| 1542627 | CIF | C23 H25 N2 O6 Re | P -1 | 9.569; 9.937; 12.748 89.068; 68.454; 84.701 | 1122.4 | Li, Dan; Chen, Yuanyuan; Wang, Xia; Deuther-Conrad, Winnie; Chen, Xin; Jia, Bing; Dong, Chengyan; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei (99m)Tc-Cyclopentadienyl Tricarbonyl Chelate-Labeled Compounds as Selective Sigma-2 Receptor Ligands for Tumor Imaging. Journal of medicinal chemistry, 2016, 59, 934-946 |
| 1505680 | CIF | C23 H30 O7 | P 1 21 1 | 8.8996; 12.0769; 10.5206 90; 90.695; 90 | 1130.67 | Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H. Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine. Journal of medicinal chemistry, 2006, 49, 2174-2185 |
| 1503671 | CIF | C16 H22 Ga N11 O4 S2 | P -1 | 9.3441; 9.7491; 12.9501 102.437; 95.239; 96.569 | 1136.26 | Kowol, Christian R.; Trondl, Robert; Heffeter, Petra; Arion, Vladimir B.; Jakupec, Michael A.; Roller, Alexander; Galanski, Markus; Berger, Walter; Keppler, Bernhard K. Impact of metal coordination on cytotoxicity of 3-aminopyridine-2-carboxaldehyde thiosemicarbazone (triapine) and novel insights into terminal dimethylation. Journal of medicinal chemistry, 2009, 52, 5032-5043 |
| 1505027 | CIF | C22 H29 N O6 | P 1 21 1 | 14.443; 5.797; 15.243 90; 115.4; 90 | 1152.9 | Saquib, Mohammad; Gupta, Manish K.; Sagar, Ram; Prabhakar, Yenamandra S.; Shaw, Arun K.; Kumar, Rishi; Maulik, Prakas R.; Gaikwad, Anil N.; Sinha, Sudhir; Srivastava, Anil K.; Chaturvedi, Vinita; Srivastava, Ranjana; Srivastava, Brahm S. C-3 alkyl/arylalkyl-2,3-dideoxy hex-2-enopyranosides as antitubercular agents: synthesis, biological evaluation, and QSAR study. Journal of medicinal chemistry, 2007, 50, 2942-2950 |
| 1559416 | CIF | C13 H18 O2 | P 1 21/c 1 | 14.465; 7.815; 10.435 90; 99.66; 90 | 1162.9 | Kleemiss, Florian; Justies, Aileen; Duvinage, Daniel; Watermann, Patrick; Ehrke, Eric; Sugimoto, Kunihisa; Fugel, Malte; Malaspina, Lorraine A.; Dittmer, Anneke; Kleemiss, Torsten; Puylaert, Pim; King, Nelly R.; Staubitz, Anne; Tzschentke, Thomas M.; Dringen, Ralf; Grabowsky, Simon; Beckmann, Jens Sila-Ibuprofen. Journal of medicinal chemistry, 2020 |
| 1552558 | CIF | C27 H29 N5 O3 | P 1 | 8.6537; 8.8678; 16.7811 77.756; 82.545; 68.655 | 1170.2 | Guo, Yunhang; Liu, Ye; Hu, Nan; Yu, Desheng; Zhou, Changyou; Shi, Gongyin; Zhang, Bo; Wei, Min; Liu, Junhua; Luo, Lusong; Tang, Zhiyu; Song, Huipeng; Guo, Yin; Liu, Xuesong; Su, Dan; Zhang, Shuo; Song, Xiaomin; Zhou, Xing; Hong, Yuan; Chen, Shuaishuai; Cheng, Zhenzhen; Young, Steve; Wei, Qiang; Wang, Haisheng; Wang, Qiuwen; Lv, Lei; Wang, Fan; Xu, Haipeng; Sun, Hanzi; Xing, Haimei; Li, Na; Zhang, Wei; Wang, Zhongbo; Liu, Guodong; Sun, Zhijian; Zhou, Dongping; Li, Wei; Liu, Libin; Wang, Lai; Wang, Zhiwei Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. Journal of medicinal chemistry, 2019, 62, 7923-7940 |
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