Molecule Details
| InChIKey | RUOKEQAAGRXIBM-GFCCVEGCSA-N |
|---|---|
| Compound Name | Rasagiline |
| Canonical SMILES | C#CCN[C@@H]1CCc2ccccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.54 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01367 |
|---|---|
| Drug Name | Rasagiline |
| CAS Number | 136236-51-6 |
| Groups | approved investigational |
| ATC Codes | N04BD02 |
| Description | Rasagiline is an irreversible inhibitor of monoamine oxidase and is used as a monotherapy in early Parkinson's disease or as an adjunct therapy in more advanced cases. |
Categories: Agents that produce hypertension Agents that reduce seizure threshold Anti-Parkinson Drugs Antidepressive Agents Central Nervous System Agents Central Nervous System Depressants Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 Substrates Dopamine Agents Drugs that are Mainly Renally Excreted Enzyme Inhibitors Hypotensive Agents Indenes Monoamine Oxidase B Inhibitors Monoamine Oxidase Inhibitors Nervous System Neuroprotective Agents Protective Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Modulators
Cross-references: BindingDB: 10989 ChEBI: 63620 CHEMBL887 ChemSpider: 2314553 Drugs Product Database (DPD): 19840 D08469 PDB: RAU PharmGKB: PA164764584 PubChem:3052776 PubChem:46506045 RxCUI: 134748 Therapeutic Targets Database: DAP001107 Wikipedia: Rasagiline ZINC: ZINC000019875504
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 8.8 | Ki | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 7.7 | IC50 | ChEMBL;BindingDB |
| P27338 | MAOB | Homo sapiens | Human | PF01593 | 7.4 | IC50 | ChEMBL;BindingDB |
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 6.2 | IC50 | ChEMBL;BindingDB |