CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00343272" in compound.

Total 1 results found.

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

Search Results

CFAM Mol ID CFAMM00343272
Family CFFBM3093 Poly [ADP-ribose] polymerase 1 inhibitor ethyl 4-(4-carbamoyl-1H-benzimidazol-2-yl)benzoate family
Superfamily CFSID864 Poly [ADP-ribose] polymerase 1 Inhibitor 2-(3'-methoxyphenyl) Benzimidazole-4-carboxamide Superfamily
Class CFCID106 Class 1456
External ID CHEMBL1834039 External Source CHEMBL
PubChem CID 16420340 Functional Category Bioactive
Molecule Name ethyl 3-[(2-amino-7H-purin-6-yl)amino]benzoate
IUPAC Name ethyl 3-[(2-amino-7H-purin-6-yl)amino]benzoate
Synonyms STK627347;ethyl 3-[(2-amino-7H-purin-6-yl)amino]benzoate;AGN-PC-00YZQ7;STOCK6S-34283;MolPort-000-850-881;MolPort-005-912-705;ZINC09422426;AKOS005560198;MCULE-9946501275
InChi InChI=1S/C14H14N6O2/c1-2-22-13(21)8-4-3-5-9(6-8)18-12-10-11(17-7-16-10)19-14(15)20-12/h3-7H,2H2,1H3,(H4,15,16,17,18,19,20)
InChiKey YKLYVNLMRJKAPY-UHFFFAOYSA-N
Formula C14H14N6O2 Molecular Weight 298.30
Cross Link CHEMBL1834039
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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