BEXAGLIFLOZIN

Search structure
Synonyms:
Status: Approved (2023)
Entry Type: Small molecule
Molecule Category: Parent
UNII: EY00JF42FV

Structure
InChI Key BTCRKOKVYTVOLU-SJSRKZJXSA-N
Smile 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

Action Mechanism of Action Reference
INHIBITOR Sodium/glucose cotransporter 2 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 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 3 D003924 ClinicalTrials
Diabetes Mellitus 3 D003920 ClinicalTrials
Essential Hypertension 2 D000075222 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1118567-05-7
ChEMBL CHEMBL1808388
DrugBank DB12236
FDA SRS EY00JF42FV
PubChem 25195624
SureChEMBL SCHEMBL302200
ZINC ZINC000059047505
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