Molecule Details
| InChIKey | QGJUIPDUBHWZPV-SGTAVMJGSA-N |
|---|---|
| Compound Name | Saxagliptin |
| Canonical SMILES | N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H](N)C12CC3CC(CC(O)(C3)C1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.48 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06335 |
|---|---|
| Drug Name | Saxagliptin |
| CAS Number | 361442-04-8 |
| Groups | approved investigational |
| ATC Codes | A10BD21 A10BD25 A10BH03 A10BD10 |
| Description | Saxagliptin (rINN) is an orally active hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. FDA approved on July 31, 2009. |
Categories: Agents causing angioedema Alimentary Tract and Metabolism Amino Acids, Peptides, and Proteins Blood Glucose Lowering Agents Bridged-Ring Compounds Cycloparaffins Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates DPP-IV Inhibitors Drugs Used in Diabetes Drugs that are Mainly Renally Excreted Enzyme Inhibitors Hormones Hormones, Hormone Substitutes, and Hormone Antagonists Hypoglycemia-Associated Agents Incretins OAT3/SLC22A8 Substrates Oligopeptides Oral Hypoglycemics Peptides Protease Inhibitors
Cross-references: BindingDB: 50225074 ChEBI: 71272 CHEMBL385517 ChemSpider: 9419005 Drugs Product Database (DPD): 20524 D08996 PharmGKB: PA165958362 PubChem:11243969 PubChem:99443245 RxCUI: 1546030 Wikipedia: Saxagliptin
Target Activities (3)
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P27487 | DPP4 | Dipeptidyl peptidase 4 | inhibitor | targets |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | substrate | transporters |
| Q6ZQN7 | SLCO4C1 | Solute carrier organic anion transporter family member 4C1 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |