Molecule Details
| InChIKey | QKDRXGFQVGOQKS-CRSSMBPESA-N |
|---|---|
| Canonical SMILES | CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.14 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12713 |
|---|---|
| Drug Name | Sotagliflozin |
| CAS Number | 1018899-04-1 |
| Groups | approved investigational |
| ATC Codes | A10BK06 |
| Description | Sotagliflozin is a dual inhibitor of SGLT1 and SGLT2, the first of its kind,[A244499] which is approved for use in the EU, in combination with insulin, to improve glycemic control in patients with type 1 diabetes mellitus (T1DM) and a BMI ≥27 kg/m<sup>2</sup>.[L39705] Its potency in inhibiting SGLT2... |
Categories: Alimentary Tract and Metabolism BCRP/ABCG2 Inhibitors Blood Glucose Lowering Agents Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Diuretics Drugs Used in Diabetes OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors P-glycoprotein inhibitors Sodium-Glucose Transporter 1, antagonists & inhibitors Sodium-Glucose Transporter 2 Inhibitors Sodium-glucose Cotransporter 2 (SGLT2) Inhibitors UGT1A1 Substrates UGT1A9 Substrates UGT2B7 substrates
Cross-references: BindingDB: 50235017 CHEMBL3039507 ChemSpider: 27289071 PDB: LFL PubChem:24831714 PubChem:347828911 RxCUI: 2638675 Wikipedia: Sotagliflozin ZINC: ZINC000095641922
Target Activities (2)
DrugBank Target Actions (14)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P16662 | UGT2B7 | UDP-glucuronosyltransferase 2B7 | substrate | enzymes |
| P22309 | UGT1A1 | UDP-glucuronosyltransferase 1A1 | substrate | enzymes |
| P13866 | SLC5A1 | Sodium/glucose cotransporter 1 | inhibitor | targets |
| P31639 | SLC5A2 | Sodium/glucose cotransporter 2 | inhibitor | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| Q92887 | ABCC2 | ATP-binding cassette sub-family C member 2 | inhibitor | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |