Molecule Details
| InChIKey | XTNGUQKDFGDXSJ-ZXGKGEBGSA-N |
|---|---|
| Compound Name | Canagliflozin |
| Canonical SMILES | Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.03 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08907 |
|---|---|
| Drug Name | Canagliflozin |
| CAS Number | 842133-18-0 |
| Groups | approved investigational |
| ATC Codes | A10BD16 A10BK02 |
| Description | Canagliflozin, also known as _Invokana_, is a sodium-glucose cotransporter 2 (SGLT2) inhibitor used in the management of type 2 diabetes mellitus along with lifestyle changes including diet and exercise [FDA label]. It was initially approved by the FDA in 2013 for the management of diabetes and late... |
Categories: Agents causing hyperkalemia Alimentary Tract and Metabolism Blood Glucose Lowering Agents Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Diuretics Drugs Used in Diabetes Drugs that are Mainly Renally Excreted Glucosides Hypotensive Agents Oral Hypoglycemics P-glycoprotein inhibitors P-glycoprotein substrates Sodium-glucose Cotransporter 2 (SGLT2) Inhibitors Sulfur Compounds Thiophenes UGT1A9 Substrates
Cross-references: BindingDB: 50386885 ChEBI: 73274 CHEMBL2048484 ChemSpider: 26333259 Drugs Product Database (DPD): 22295 D09592 PDB: L3R PubChem:24812758 PubChem:175427146 RxCUI: 1373458 Wikipedia: Canagliflozin ZINC: ZINC000043207238
Target Activities (3)
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | substrate | carriers |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P06133 | P06133 | UDP-glucuronosyltransferase 2B4 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P31639 | SLC5A2 | Sodium/glucose cotransporter 2 | inhibitor | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | binder | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | substrate | transporters |