ertugliflozin   Click here for help

GtoPdb Ligand ID: 8376

Synonyms: MK-8835 | PF-04971729 | Steglatro®
Approved drug
ertugliflozin is an approved drug (FDA (2017), EMA (2018))
Compound class: Synthetic organic
Comment: 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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 108.61
Molecular weight 436.13
XLogP 2.35
No. Lipinski's rules broken 0
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Canonical SMILES CCOc1ccc(cc1)Cc1cc(ccc1Cl)C12OCC(O1)(CO)C(C(C2O)O)O
Isomeric SMILES CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@]12OC[C@@](O1)(CO)[C@H]([C@@H]([C@H]2O)O)O
InChI InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2017), EMA (2018))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9460 ertugliflozin
Synonyms Click here for help
MK-8835 | PF-04971729 | Steglatro®
Database Links Click here for help
CAS Registry No. 1210344-57-2
ChEMBL Ligand CHEMBL1770248
DrugCentral Ligand 5270
GtoPdb PubChem SID 252166588
PubChem CID 44814423
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