CFam Chemical Families Database
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You are searching for "CFAMM00421514" in compound.

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CFAM Mol ID CFAMM00421514
Family CFFBM13275 Mitogen-activated protein kinase 8 and Mitogen-activated protein kinase 9 inhibitor AGN-PC-08WUKM family
Superfamily CFSBM4004 Mitogen-activated protein kinase 9 and Mitogen-activated protein kinase 8 Binder Superfamily
Class CFCBM1469 Class 4519
External ID CHEMBL2392840 External Source CHEMBL
PubChem CID 50943125 Functional Category Bioactive
Molecule Name AGN-PC-08WU6U
IUPAC Name 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
Synonyms SureCN1201852;SureCN6863188;US8536172, 57;6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
InChi InChI=1S/C30H37N9O3S/c1-43(41,42)23-10-14-36(15-11-23)25-3-2-4-26-24(25)12-16-39(26)27-9-13-31-30(34-27)33-22-7-5-21(6-8-22)29(40)37-17-18-38-20-32-35-28(38)19-37/h2-4,9,12-13,16,20-23H,5-8,10-11,14-15,17-19H2,1H3,(H,31,33,34)/t21-,22-
InChiKey DESXXRVFAOVNTC-HZCBDIJESA-N
Formula C30H37N9O3S Molecular Weight 603.74
Cross Link CHEMBL2392840
Structure

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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