bexagliflozin   Click here for help

GtoPdb Ligand ID: 12335

Synonyms: Brenzavvy® | compound 29 [PMID: 21737266] | EGT-0001442 | EGT-1442 | EGT1442 [6] | THR-1442
Approved drug
bexagliflozin is an approved drug (FDA (2023))
Compound class: Synthetic organic
Comment: Bexagliflozin is an oral sodium-glucose cotransporter 2 (SGLT2; SLC5A2) inhibitor [5], that was developed for its ability to improve control of blood glucose levels for the treatment of type 2 diabetes [1,6]. It is a C-aryl glucoside class molecule.
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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 9
Topological polar surface area 108.61
Molecular weight 464.16
XLogP 2.87
No. Lipinski's rules broken 0
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Canonical SMILES OC[C@H]1O[C@@H](c2ccc(c(c2)Cc2ccc(cc2)OCCOC2CC2)Cl)[C@@H]([C@H]([C@@H]1O)O)O
Isomeric SMILES C1CC1OCCOc1ccc(cc1)Cc1c(ccc(c1)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)Cl
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2023))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10159 bexagliflozin
Synonyms Click here for help
Brenzavvy® | compound 29 [PMID: 21737266] | EGT-0001442 | EGT-1442 | EGT1442 [6] | THR-1442
Database Links Click here for help
BindingDB Ligand 50349249
CAS Registry No. 1118567-05-7 (source: WHO INN record)
ChEMBL Ligand CHEMBL1808388
DrugBank Ligand DB12236
GtoPdb PubChem SID 479821126
PubChem CID 25195624
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