CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00486642" 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.

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CFAM Mol ID CFAMM00486642
Family CFFBM28739 Glutamate racemase inhibitor AGN-PC-077KMZ family
Superfamily CFSBM10119 Glutamate racemase Binder Superfamily
Class CFCBM808 Class 3858
External ID CHEMBL469230 External Source CHEMBL
PubChem CID 44577843 Functional Category Bioactive
Molecule Name AGN-PC-077KMZ
IUPAC Name 2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-methylsulfonylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
Synonyms SureCN5410819;CHEBI:588806;2-[(6-chloroquinolin-4-yl)methyl]-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-methylsulfonylpyrrol-2-yl)pyrazolo[3,4-d]pyrimidine-4,6-dione
InChi InChI=1S/C26H25ClN6O4S/c1-30-14-18(38(3,36)37)11-21(30)23-22-24(32(12-15-4-5-15)26(35)31(2)25(22)34)29-33(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15H,4-5,12-13H2,1-3H3
InChiKey OSQRJYUHXPRSRK-UHFFFAOYSA-N
Formula C26H25ClN6O4S Molecular Weight 553.03
Cross Link CHEMBL469230
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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