canagliflozin

Ligand id: 4582

Name: canagliflozin

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View more information in the IUPHAR Pharmacology Education Project: canagliflozin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 5
Topological polar surface area 118.39
Molecular weight 444.14
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA & EMA (2013))
IUPAC Name
(2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol
International Nonproprietary Names
INN number INN
9225 canagliflozin
Synonyms
Invokana® | JNJ-28431754 | TA-7284
Database Links
CAS Registry No. 842133-18-0 (source: SciFinder)
ChEMBL Ligand CHEMBL2048484
DrugBank Ligand DB08907
PubChem CID 24812758
Search Google for chemical match using the InChIKey XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
Search Google for chemicals with the same backbone XTNGUQKDFGDXSJ
Search PubMed clinical trials canagliflozin
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Search UniChem for chemical match using the InChIKey XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
Search UniChem for chemicals with the same backbone XTNGUQKDFGDXSJ
Wikipedia Canagliflozin
Comments
Marketed formulations may contain canagliflozin in a hemihydrate form (PubChem CID 24997615).