Molecule Details
| InChIKey | NEMGRZFTLSKBAP-LBPRGKRZSA-N |
|---|---|
| Compound Name | Safinamide |
| Canonical SMILES | C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.58 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06654 |
|---|---|
| Drug Name | Safinamide |
| CAS Number | 133865-89-1 |
| Groups | approved investigational |
| ATC Codes | N04BD03 |
| Description | Safinamide is for the treatment of parkinson's disease. It was approved in Europe in February 2015, and in the United States on March 21, 2017. |
Categories: Agents that produce hypertension Agents that reduce seizure threshold Amines Amino Acids Amino Acids, Peptides, and Proteins Anti-Parkinson Drugs Antidepressive Agents BCRP/ABCG2 Inhibitors Benzene Derivatives Benzyl Compounds Central Nervous System Depressants Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Monoamine Oxidase B Inhibitors Monoamine Oxidase Inhibitors Nervous System Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome
Cross-references: BindingDB: 50078694 ChEBI: 134718 CHEMBL396778 ChemSpider: 116349 Drugs Product Database (DPD): 23038 PubChem:131682 PubChem:347827780 RxCUI: 1922448 Wikipedia: Safinamide ZINC: ZINC000053084692
Target Activities (2)
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inhibitor | enzymes |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P27338 | MAOB | Amine oxidase [flavin-containing] B | antagonist | targets |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| Q9UIG8 | Q9UIG8 | Solute carrier organic anion transporter family member 3A1 | substrate | transporters |