CFam Chemical Families Database
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You are searching for "CFAMM00186227" in compound.

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CFAM Mol ID CFAMM00186227
Family CFFID272 3-hydroxy-3-methylglutaryl-coenzyme A reductase and Alcohol dehydrogenase [NADP(+)] Inhibitor 2'-monophosphoadenosine 5'-diphosphoribose Family
Superfamily CFSID222 Adenosine receptor A2a and Adenosine receptor A1 Binder Superfamily
Class CFCAD652 Class 652
External ID CHEMBL393185 External Source CHEMBL
PubChem CID 44430236 Functional Category Bioactive
Molecule Name 2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[4-(hydroxymethyl)pyrazol-1-yl]purin-6-yl]amino]pyridine-4-carboxylic acid
IUPAC Name 2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-[4-(hydroxymethyl)pyrazol-1-yl]purin-6-yl]amino]pyridine-4-carboxylic acid
Synonyms CHEBI:493790
InChi InChI=1S/C20H20N8O7/c29-6-9-4-23-28(5-9)20-25-16(24-12-3-10(19(33)34)1-2-21-12)13-17(26-20)27(8-22-13)18-15(32)14(31)11(7-30)35-18/h1-5,8,11,14-15,18,29-32H,6-7H2,(H,33,34)(H,21,24,25,26)/t11-,14-,15-,18-/m1/s1
InChiKey CUROGMTXGMQNAS-XKLVTHTNSA-N
Formula C20H20N8O7 Molecular Weight 484.42
Cross Link CHEMBL393185
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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