EMPAGLIFLOZIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A10BK03
UNII HDC1R2M35U

Structure

InChI Key OBWASQILIWPZMG-QZMOQZSNSA-N
Smiles OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H27ClO7
Molecular Weight 450.92
AlogP 1.61
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 108.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
Sodium/glucose cotransporter 2 inhibitor INHIBITOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC05 family of sodium-dependent glucose transporters
3 3.1-3.1 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3 3.1-3.1 - - -

Target Conservation

Protein: Sodium/glucose cotransporter 2
Description: Sodium/glucose cotransporter 2
Organism : Homo sapiens
P31639 ENSG00000140675

Related Entries

Cross References

Resources Reference
ChEBI 82720
ChEMBL CHEMBL2107830
DrugBank DB09038
DrugCentral 4830
FDA SRS HDC1R2M35U
Guide to Pharmacology 4754
PharmGKB PA166163327
PubChem 11949646
SureChEMBL SCHEMBL899986
ZINC ZINC000036520252
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