dapagliflozin

Ligand id: 4594

Name: dapagliflozin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 99.38
Molecular weight 408.13
XLogP 3.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: EMA (2012), FDA (2014))
IUPAC Name
(2S,3R,4R,5S,6R)-2-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-(hydroxymethyl)oxane-3,4,5-triol
International Nonproprietary Names
INN number INN
8886 dapagliflozin
Synonyms
BMS-512148
Farxiga®
Forxiga®
Database Links
CAS Registry No. 461432-26-8
ChEBI CHEBI:85078
ChEMBL Ligand CHEMBL429910
PubChem CID 9887712
Search Google for chemical match using the InChIKey JVHXJTBJCFBINQ-ADAARDCZSA-N
Search Google for chemicals with the same backbone JVHXJTBJCFBINQ
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Wikipedia Dapagliflozin
Comments
Dapagliflozin is a derivative of naturally occurring dihydrocholine glucoside.