CFam Chemical Families Database
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You are searching for "CFAMM00239607" in compound.

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CFAM Mol ID CFAMM00239607
Family CFFID1465 Epidermal growth factor receptor Ligand AG-538 Family
Superfamily CFSAD739 Aldehyde oxidase Inhibitor Isovanillin Superfamily
Class CFCAD663 Class 663
External ID DNC004541 External Source TTD
PubChem CID 5328760 Functional Category Investigative Drug
Molecule Name AG-538
IUPAC Name (E)-2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
Synonyms AG 538;AG-538;NSC676485;alpha-Cyano-(3,4-dihydroxy)cinnamoyl-(3′,4′-dihydroxyphenyl)ketone;Tyrphostin deriv. 24;Lopac-T-7822;AC1NS5A3;SureCN2678764;Lopac0_001261;MLS002153408
InChi InChI=1S/C16H11NO5/c17-8-11(5-9-1-3-12(18)14(20)6-9)16(22)10-2-4-13(19)15(21)7-10/h1-7,18-21H/b11-5+
InChiKey CANOJKGQDCJDOX-VZUCSPMQSA-N
Formula C16H11NO5 Molecular Weight 297.26
Cross Link CHEMBL56393
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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