CFam Chemical Families Database
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You are searching for "CFAMM00223728" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00223728
Family CFFID964 Adenosine receptor A1 and Adenosine receptor A2a Ligand N6-methoxy-2-[(3-pyridinyl)ethynyl]-adenosine Family
Superfamily CFSID222 Adenosine receptor A2a and Adenosine receptor A1 Binder Superfamily
Class CFCAD652 Class 652
External ID DNC007155 External Source TTD
PubChem CID 16115753 Functional Category Investigative Drug
Molecule Name N6-methoxy-2-[(4-pyridinyl)ethynyl]adenosine
IUPAC Name (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-pyridin-4-ylethynyl)purin-9-yl]oxolane-3,4-diol
Synonyms CHEBI:470598;DNC007155;N6-methoxy-2-[(4-pyridinyl)ethynyl]adenosine
InChi InChI=1S/C18H18N6O5/c1-28-23-16-13-17(22-12(21-16)3-2-10-4-6-19-7-5-10)24(9-20-13)18-15(27)14(26)11(8-25)29-18/h4-7,9,11,14-15,18,25-27H,8H2,1H3,(H,21,22,23)/t11-,14-,15-,18-/m1/s1
InChiKey NZIZYIGAKAUPPW-XKLVTHTNSA-N
Formula C18H18N6O5 Molecular Weight 398.37
Cross Link CHEMBL220899
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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