Molecule Details
| InChIKey | BTCRKOKVYTVOLU-SJSRKZJXSA-N |
|---|---|
| Canonical SMILES | OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(OCCOC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.66 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12236 |
|---|---|
| Drug Name | Bexagliflozin |
| CAS Number | 1118567-05-7 |
| Groups | approved investigational |
| ATC Codes | A10BK08 |
| Description | Bexagliflozin is a highly specific and potent sodium-glucose co-transporter 2 (SGLT2) inhibitor.[A256408,A256413,L44758] Similar to other SGLT2 inhibitors, bexagliflozin contains three basic moieties: glucose, two benzene rings and a methylene bridge.[A256413] SGLT2 is responsible for 60% to 90% of ... |
Categories: Alimentary Tract and Metabolism Benzene Derivatives Blood Glucose Lowering Agents Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Diabetes Mellitus, Type 2, drug therapy Diuretics Drugs Used in Diabetes Glycosides Oral Hypoglycemics P-glycoprotein substrates Sodium-Glucose Transport Proteins, antagonists & inhibitors Sodium-Glucose Transporter 2 Inhibitors Sodium-glucose Cotransporter 2 (SGLT2) Inhibitors UGT1A1 Substrates UGT1A9 Substrates
Cross-references: BindingDB: 50349249 CHEMBL1808388 ChemSpider: 26609013 PubChem:25195624 PubChem:347828515 RxCUI: 2627044 Wikipedia: Bexagliflozin ZINC: ZINC000059047505
Target Activities (2)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P31639 | SLC5A2 | Sodium/glucose cotransporter 2 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |