CFam Chemical Families Database
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You are searching for "CFAMM00383332" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00383332
Family CFFBM7806 Tyrosine-protein kinase Lck and Proto-oncogene tyrosine-protein kinase Src inhibitor AGN-PC-04TF6V family
Superfamily CFSBM4235 Ephrin type-B receptor 4 and Tyrosine-protein kinase Lck Binder Superfamily
Class CFCCD242 Class 1055
External ID CHEMBL1762547 External Source CHEMBL
PubChem CID 54582972 Functional Category Bioactive
Molecule Name AGN-PC-0A9RUP
IUPAC Name [3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-ethylamino]-4-methylphenyl]methanol
Synonyms SureCN5122956;CHEBI:1239841;[3-[[2-(3,5-dimorpholin-4-ylanilino)pyrimidin-4-yl]-ethylamino]-4-methylphenyl]methanol
InChi InChI=1S/C28H36N6O3/c1-3-34(26-16-22(20-35)5-4-21(26)2)27-6-7-29-28(31-27)30-23-17-24(32-8-12-36-13-9-32)19-25(18-23)33-10-14-37-15-11-33/h4-7,16-19,35H,3,8-15,20H2,1-2H3,(H,29,30,31)
InChiKey KKSHELMUSUNFMM-UHFFFAOYSA-N
Formula C28H36N6O3 Molecular Weight 504.62
Cross Link CHEMBL1762547
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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