CFam Chemical Families Database
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You are searching for "CFAMM00486639" in compound.

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CFAM Mol ID CFAMM00486639
Family CFFBM28739 Glutamate racemase inhibitor AGN-PC-077KMZ family
Superfamily CFSBM10119 Glutamate racemase Binder Superfamily
Class CFCBM808 Class 3858
External ID CHEMBL468004 External Source CHEMBL
PubChem CID 44577769 Functional Category Bioactive
Molecule Name AGN-PC-077KL1
IUPAC Name 5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-N-methoxy-1-methylpyrrole-3-sulfonamide
Synonyms CHEBI:588666;5-[2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxopyrazolo[3,4-d]pyrimidin-3-yl]-N-methoxy-1-methylpyrrole-3-sulfonamide
InChi InChI=1S/C26H26ClN7O5S/c1-31-14-18(40(37,38)30-39-3)11-21(31)23-22-24(33(12-15-4-5-15)26(36)32(2)25(22)35)29-34(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15,30H,4-5,12-13H2,1-3H3
InChiKey XBLHUPJKCRIOMD-UHFFFAOYSA-N
Formula C26H26ClN7O5S Molecular Weight 584.05
Cross Link CHEMBL468004
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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