CFam Chemical Families Database
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You are searching for "CFAMM00141763" in compound.

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CFAM Mol ID CFAMM00141763
Family CFFCD189 Adenosine receptor A2a Ligand Atl-146e Family
Superfamily CFSCD172 Adenosine receptor A2a Binder Superfamily
Class CFCAD172 Class 172
External ID DNCL001912 External Source TTD
PubChem CID 9805430 Functional Category Clinical Trial Drug
Molecule Name Apadenoson
IUPAC Name methyl 4-[3-[6-amino-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]prop-2-ynyl]cyclohexane-1-carboxylate
Synonyms CHEMBL1950649;BMS-068645;250386-15-3;ATL 146e;DWH 146e;Stedivaze;BMS068645;Apadenoson (USAN);Apadenoson [USAN:INN];SureCN1002620
InChi InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12?,13?,16-,17+,18-,22+/m0/s1
InChiKey FLEVIENZILQUKB-DMJMAAGCSA-N
Formula C23H30N6O6 Molecular Weight 486.52
Cross Link CHEMBL1950649
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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