BEXAGLIFLOZIN

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Synonyms
Status
Molecule Category Free-form
UNII EY00JF42FV

Structure

InChI Key BTCRKOKVYTVOLU-SJSRKZJXSA-N
Smiles OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI
InChI=1S/C24H29ClO7/c25-19-8-3-15(24-23(29)22(28)21(27)20(13-26)32-24)12-16(19)11-14-1-4-17(5-2-14)30-9-10-31-18-6-7-18/h1-5,8,12,18,20-24,26-29H,6-7,9-11,13H2/t20-,21-,22+,23-,24+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H29ClO7
Molecular Weight 464.94
AlogP 2.0
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 108.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Sodium/glucose cotransporter 2 inhibitor INHIBITOR Other Other
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
- 2.3 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 2.3 - - -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1808388
DrugBank DB12236
FDA SRS EY00JF42FV
PubChem 25195624
SureChEMBL SCHEMBL302200
ZINC ZINC000059047505
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