Molecule Details
InChIKeyMEZLKOACVSPNER-GFCCVEGCSA-N
Compound NameSelegiline
Canonical SMILESC#CCN(C)[C@H](C)Cc1ccccc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL6.84
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01037
Drug NameSelegiline
CAS Number14611-51-9
Groups approved vet_approved
ATC Codes N04BD01
DescriptionA selective, irreversible inhibitor of Type B monoamine oxidase. It is used in newly diagnosed patients with Parkinson's disease. It may slow progression of the clinical disease and delay the requirement for levodopa therapy. It also may be given with levodopa upon onset of disability. (From AMA Dru...

Categories: Agents that produce hypertension Agents that reduce seizure threshold Amines Anti-Dyskinesia Agents Anti-Parkinson Drugs Antidepressive Agents Antidepressive Agents Indicated for Depression Central Nervous System Agents Central Nervous System Depressants Compounds used in a research, industrial, or household setting Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2A6 Inhibitors Cytochrome P-450 CYP2A6 Inhibitors (strength unknown) Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (strength unknown) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Enzyme Inhibitors Ethylamines Hypotensive Agents Monoamine Oxidase A Inhibitors for interaction with Monoamine Oxidase A substrates Monoamine Oxidase B Inhibitors Monoamine Oxidase Inhibitors Nervous System Neuroprotective Agents P-glycoprotein inhibitors Phenethylamines Protective Agents Psychotropic Drugs Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin Agents Serotonin Modulators
Cross-references: BindingDB: 15579 ChEBI: 9086 CHEMBL972 ChemSpider: 24930 Drugs Product Database (DPD): 1294 C07245 D03731 PharmGKB: PA451316 PubChem:26757 PubChem:46507655 RxCUI: 9639 Therapeutic Targets Database: DAP000579 Wikipedia: Selegiline ZINC: ZINC000019632633
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P27338 MAOB Homo sapiens Human PF01593 7.7 IC50 ChEMBL;BindingDB
P21397 MAOA Homo sapiens Human PF01593 7.2 IC50 ChEMBL;BindingDB
P18089 ADRA2B Homo sapiens Human PF00001 6.6 IC50 ChEMBL
P37840 SNCA Homo sapiens Human PF01387 6.6 IC50 ChEMBL;BindingDB
P08913 ADRA2A Homo sapiens Human PF00001 6.2 Ki ChEMBL
DrugBank Target Actions (16)
Target Gene Target Name Action Type
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P11509 CYP2A6 Cytochrome P450 2A6 inhibitor enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inhibitor enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P11509 CYP2A6 Cytochrome P450 2A6 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P25103 TACR1 Substance-P receptor antagonist targets
P21397 MAOA Amine oxidase [flavin-containing] A inhibitor targets
P27338 MAOB Amine oxidase [flavin-containing] B inhibitor targets
P08183 ABCB1 ATP-dependent translocase ABCB1 inhibitor transporters