CFam Chemical Families Database
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You are searching for "CFAMM00486588" in compound.

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

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CFAM Mol ID CFAMM00486588
Family CFFBM28725 Glutamate racemase inhibitor AGN-PC-077KKZ family
Superfamily CFSBM10119 Glutamate racemase Binder Superfamily
Class CFCBM808 Class 3858
External ID CHEMBL511736 External Source CHEMBL
PubChem CID 44577799 Functional Category Bioactive
Molecule Name AGN-PC-077KLU
IUPAC Name 2-[(5-chloro-1H-indol-3-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-methylsulfonylimidazol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
Synonyms SureCN5409822;CHEBI:588737;2-[(5-chloro-1H-indol-3-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-methylsulfonylimidazol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
InChi InChI=1S/C24H24ClN7O4S/c1-29-12-18(37(3,35)36)27-22(29)20-19-21(31(10-13-4-5-13)24(34)30(2)23(19)33)28-32(20)11-14-9-26-17-7-6-15(25)8-16(14)17/h6-9,12-13,26H,4-5,10-11H2,1-3H3
InChiKey LOWHJWMOXOSROT-UHFFFAOYSA-N
Formula C24H24ClN7O4S Molecular Weight 542.01
Cross Link CHEMBL511736
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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