CFam Chemical Families Database
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You are searching for "CFAMM00132099" in compound.

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CFAM Mol ID CFAMM00132099
Family CFFCD61 Sodium/glucose cotransporter 2 Inhibitor Empagliflozin Family
Superfamily CFSCD58 Sodium/glucose cotransporter 2 Inhibitor Empagliflozin Superfamily
Class CFCCD51 Class 864
External ID DCL000101 External Source TTD
PubChem CID 9887712 Functional Category Clinical Trial Drug
Molecule Name Dapagliflozin
IUPAC Name (2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms 461432-26-8;BMS-512148;S1548_Selleck;CHEMBL429910;BMS-512148, Dapagliflozin;D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-, (1S)-;AKOS005145763;Forxiga (TN);D08897;Forxiga
InChi InChI=1S/C21H25ClO6/c1-2-27-15-6-3-12(4-7-15)9-14-10-13(5-8-16(14)22)21-20(26)19(25)18(24)17(11-23)28-21/h3-8,10,17-21,23-26H,2,9,11H2,1H3/t17-,18-,19+,20-,21+/m1/s1
InChiKey JVHXJTBJCFBINQ-ADAARDCZSA-N
Formula C21H25ClO6 Molecular Weight 408.87
Cross Link CHEMBL429910 DB06292
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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