Molecule Details
| InChIKey | RMUCZJUITONUFY-UHFFFAOYSA-N |
|---|---|
| Compound Name | Phenelzine |
| Canonical SMILES | NNCCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.68 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00780 |
|---|---|
| Drug Name | Phenelzine |
| CAS Number | 51-71-8 |
| Groups | approved investigational |
| ATC Codes | N06AF03 |
| Description | Phenelzine, with the formula β-phenylethylhydrazine, is a monoamine oxidase inhibiting antidepressant that is effective in the treatment of panic disorder and social anxiety disorder.[A15753] It was developed by Parke Davis and originally FDA approved on June 9th, 1961. It is currently approved unde... |
Categories: Agents that produce hypertension Agents that reduce seizure threshold Antidepressive Agents Antidepressive Agents Indicated for Depression Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Inducers Cytochrome P-450 CYP2E1 Inducers (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A5 Inhibitors Cytochrome P-450 CYP3A5 Inhibitors (strength unknown) Cytochrome P-450 CYP3A7 Inhibitors Cytochrome P-450 CYP3A7 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Drugs that are Mainly Renally Excreted Enzyme Inhibitors Hydrazines Hypotensive Agents Monoamine Oxidase A Substrates Monoamine Oxidase Inhibitors Monoamine Oxidase Inhibitors, Non-Selective Nervous System Psychoanaleptics Psychotropic Drugs Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Modulators
Cross-references: BindingDB: 50105417 ChEBI: 8060 CHEMBL1089 ChemSpider: 3547 Drugs Product Database (DPD): 11355 C07430 D08349 PharmGKB: PA450903 PubChem:3675 PubChem:46507348 RxCUI: 8123 Therapeutic Targets Database: DAP000578 Wikipedia: Phenelzine ZINC: ZINC000019166991
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q16853 | AOC3 | Homo sapiens | Human | PF01179 PF02727 PF02728 | 7.7 | IC50 | ChEMBL;BindingDB |
| P27338 | MAOB | Homo sapiens | Human | PF01593 | 6.9 | Ki | ChEMBL;BindingDB |
| P21397 | MAOA | Homo sapiens | Human | PF01593 | 6.7 | IC50 | ChEMBL;BindingDB |
| P33261 | CYP2C19 | Homo sapiens | Human | PF00067 | 6.1 | IC50 | ChEMBL |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (16)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05181 | CYP2E1 | Cytochrome P450 2E1 | inducer | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | inhibitor | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | inhibitor | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | inhibitor | enzymes |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | substrate | enzymes |
| P27338 | MAOB | Amine oxidase [flavin-containing] B | substrate | enzymes |
| P21397 | MAOA | Amine oxidase [flavin-containing] A | antagonist | targets |
| P27338 | MAOB | Amine oxidase [flavin-containing] B | antagonist | targets |
| P24298 | P24298 | Alanine aminotransferase 1 | inhibitor | targets |
| P80404 | ABAT | 4-aminobutyrate aminotransferase, mitochondrial | inhibitor | targets |
| Q16853 | AOC3 | Amine oxidase [copper-containing] 3 | inhibitor | targets |
| Q8TD30 | Q8TD30 | Alanine aminotransferase 2 | inhibitor | targets |
| Q9UGI5 | Q9UGI5 | Glutamate decarboxylase 2 | inhibitor | targets |