Molecule Details
| InChIKey | MCIACXAZCBVDEE-CUUWFGFTSA-N |
|---|---|
| Compound Name | Ertugliflozin |
| Canonical SMILES | CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.18 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11827 |
|---|---|
| Drug Name | Ertugliflozin |
| CAS Number | 1210344-57-2 |
| Groups | approved investigational |
| ATC Codes | A10BD23 A10BK04 A10BD24 |
| Description | Ertugliflozin is a sodium-dependent glucose cotransporter-2 (SGLT2) inhibitor used to treat type II diabetes mellitus. It works to block glucose reabsorption from the glomerulus.[A31581] Ertugliflozin was first approved by the FDA in December 2017.[A261951, L1132] It was also approved by the Europea... |
Categories: Alimentary Tract and Metabolism BCRP/ABCG2 Substrates Blood Glucose Lowering Agents Diuretics Drugs Used in Diabetes P-glycoprotein substrates Sodium-Glucose Transporter 2 Inhibitors Sodium-glucose Cotransporter 2 (SGLT2) Inhibitors UGT1A1 Inhibitors UGT1A4 Inhibitors UGT1A9 Substrates UGT2B7 substrates
Cross-references: BindingDB: 50342885 ChEBI: 188719 CHEMBL1770248 ChemSpider: 26340533 Drugs Product Database (DPD): 22949 PharmGKB: PA166269521 PubChem:44814423 PubChem:347828173 RxCUI: 1992672 Wikipedia: Ertugliflozin ZINC: ZINC000068197809
Target Activities (3)
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | inhibitor | enzymes |
| P22310 | P22310 | UDP-glucuronosyltransferase 1A4 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P31639 | SLC5A2 | Sodium/glucose cotransporter 2 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | substrate | transporters |