ertugliflozin

Ligand id: 8376

Name: ertugliflozin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 108.61
Molecular weight 436.13
XLogP 3.05
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
International Nonproprietary Names
INN number INN
9460 ertugliflozin
Synonyms
MK-8835 | PF-04971729
Database Links
CAS Registry No. 1210344-57-2
ChEMBL Ligand CHEMBL1770248
GtoPdb PubChem SID 252166588
PubChem CID 44814423
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Comments
Ertugliflozin (PF-04971729) is an inhibitor of sodium/glucose cotransporter 2 (SGLT2). The discovery of PF-04971729 is reported in [2], where it is compound 4.