CFam Chemical Families Database
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You are searching for "CFAMM00413659" in compound.

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CFAM Mol ID CFAMM00413659
Family CFFBM12066 Tyrosine-protein kinase Lck inhibitor 3-[[2-(benzimidazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]-4-methylphenol family
Superfamily CFSBM4753 Cytochrome P450 3A4 and Tyrosine-protein kinase Lyn Binder Superfamily
Class CFCBM126 Class 3176
External ID CHEMBL220645 External Source CHEMBL
PubChem CID 16066841 Functional Category Bioactive
Molecule Name Lck Inhibitor II
IUPAC Name 3-[[2-(benzimidazol-1-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]-4-methylphenol
Synonyms AGN-PC-00SDUG;SureCN2183662;CTK8G0519;CHEBI:468675;AG-L-65929;3-[[2-(benzimidazol-1-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]-4-methylphenol
InChi InChI=1S/C24H26N6O3/c1-17-6-7-18(31)14-20(17)26-22-15-23(33-13-10-29-8-11-32-12-9-29)28-24(27-22)30-16-25-19-4-2-3-5-21(19)30/h2-7,14-16,31H,8-13H2,1H3,(H,26,27,28)
InChiKey DKDNLOIZODSWFH-UHFFFAOYSA-N
Formula C24H26N6O3 Molecular Weight 446.50
Cross Link CHEMBL220645
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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