CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00034225" 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 CFAMM00034225
Family CFFAD189 Adenosine receptor A3 ligand purine nucleoside Adenosine Family
Superfamily CFSAD177 Adenosine receptor, DNA binding purine nucleoside Adenosine analog Superfamily
Class CFCAD172 Class 172
External ID CHEMBL43924 External Source CHEMBL
PubChem CID 44289691 Functional Category Bioactive
Molecule Name AGN-PC-073O7K
IUPAC Name [5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
Synonyms CHEBI:164701;[5-[6-(methylamino)-2-methylsulfanylpurin-9-yl]-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
InChi InChI=1S/C12H19N5O9P2S/c1-13-10-9-11(16-12(15-10)29-2)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,3-4H2,1-2H3,(H,13,15,16)(H2,18,19,20)(H2,21,22,23)
InChiKey LNUFPAGVJSFPHP-UHFFFAOYSA-N
Formula C12H19N5O9P2S Molecular Weight 471.32
Cross Link CHEMBL43924
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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