CFam Chemical Families Database
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You are searching for "CFAMM00441251" in compound.

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CFAM Mol ID CFAMM00441251
Family CFFBM17234 Activated CDC42 kinase 1 and Tyrosine-protein kinase Lck inhibitor AGN-PC-050UK2 family
Superfamily CFSBM219 cAMP and Glucokinase Binder Superfamily
Class CFCCD42 Class 855
External ID CHEMBL504331 External Source CHEMBL
PubChem CID 16049260 Functional Category Bioactive
Molecule Name AGN-PC-00S59R
IUPAC Name 3-N-(2,6-dichlorophenyl)-6-N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(3-methoxy-3-methylbutyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
Synonyms CHEBI:552349;3-N-(2,6-dichlorophenyl)-6-N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(3-methoxy-3-methylbutyl)pyrazolo[3,4-d]pyrimidine-3,6-diamine
InChi InChI=1S/C29H34Cl2FN7O2/c1-29(2,40-3)11-14-39-27-20(26(37-39)35-25-21(30)7-6-8-22(25)31)18-33-28(36-27)34-19-9-10-24(23(32)17-19)41-16-15-38-12-4-5-13-38/h6-10,17-18H,4-5,11-16H2,1-3H3,(H,35,37)(H,33,34,36)
InChiKey DVUHFGSLDSLHHD-UHFFFAOYSA-N
Formula C29H34Cl2FN7O2 Molecular Weight 602.53
Cross Link CHEMBL504331
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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