CFam Chemical Families Database
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You are searching for "CFAMM00382849" in compound.

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CFAM Mol ID CFAMM00382849
Family CFFBM7763 Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor 4-methyl-3-(4-pentylphenyl)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole family
Superfamily CFSBM4279 Corticosteroid 11-beta-dehydrogenase isozyme 1 and Dipeptidyl peptidase 4 Binder Superfamily
Class CFCBM32 Class 3082
External ID CHEMBL14018 External Source CHEMBL
PubChem CID 14064637 Functional Category Bioactive
Molecule Name AGN-PC-000AJJ
IUPAC Name 4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzonitrile
Synonyms CHEBI:113252
InChi InChI=1S/C20H16N6/c21-13-14-7-9-15(10-8-14)18-22-23-19-16-5-1-2-6-17(16)20(24-26(18)19)25-11-3-4-12-25/h1-2,5-10H,3-4,11-12H2
InChiKey QYTYYXYHPNDSAD-UHFFFAOYSA-N
Formula C20H16N6 Molecular Weight 340.38
Cross Link CHEMBL14018
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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