CFam Chemical Families Database
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You are searching for "CFAMM00446392" in compound.

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CFAM Mol ID CFAMM00446392
Family CFFBM18298 cGMP-specific 3',5'-cyclic phosphodiesterase and Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B inhibitor AGN-PC-03P5OR family
Superfamily CFSBM7283 cGMP-specific 3',5'-cyclic phosphodiesterase and Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B Binder Superfamily
Class CFCID1364 Class 2714
External ID CHEMBL541818 External Source CHEMBL
PubChem CID 45264540 Functional Category Bioactive
Molecule Name AGN-PC-07C1UY
IUPAC Name methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-1-oxo-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate;dihydrochloride
Synonyms methyl 2-(4-aminophenyl)-4-(3,5-dimethoxy-4-methylphenyl)-1-oxo-7-(pyridin-2-ylmethoxy)isoquinoline-3-carboxylate;dihydrochloride
InChi InChI=1S/C32H29N3O6.2ClH/c1-19-27(38-2)15-20(16-28(19)39-3)29-25-13-12-24(41-18-22-7-5-6-14-34-22)17-26(25)31(36)35(30(29)32(37)40-4)23-10-8-21(33)9-11-23;;/h5-17H,18,33H2,1-4H3;2*1H
InChiKey FDKJBFWXVIRUNA-UHFFFAOYSA-N
Formula C32H31Cl2N3O6 Molecular Weight 624.51
Cross Link CHEMBL541818
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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