Molecule Details
| InChIKey | YEHCICAEULNIGD-MZMPZRCHSA-N |
|---|---|
| Compound Name | Pergolide |
| Canonical SMILES | CCCN1C[C@H](CSC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.13 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01186 |
|---|---|
| Drug Name | Pergolide |
| CAS Number | 66104-22-1 |
| Groups | approved vet_approved withdrawn |
| ATC Codes | N04BC02 |
| Description | Pergolide is a long-acting dopamine agonist approved in 1982 for the treatment of Parkinson’s Disease. It is an ergot derivative that acts on the dopamine D2 and D3, alpha2- and alpha1-adrenergic, and 5-hydroxytryptamine (5-HT) receptors. It was indicated as adjunct therapy with levodopa/carbidopa i... |
Categories: Adrenergic Agonists Adrenergic alpha-1 Receptor Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Alkaloids Anti-Parkinson Drugs Antidepressive Agents Central Nervous System Depressants Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Dopamine Agents Dopamine Agonists Ergolines Ergot Alkaloids and Derivatives Ergot-derivative Dopamine Receptor Agonists Ergot-derived Dopamine Receptor Agonist Heterocyclic Compounds, Fused-Ring Nervous System Neurotransmitter Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT2 Receptor Agonists Serotonin Agents Serotonin Receptor Agonists
Cross-references: BindingDB: 50028421 ChEBI: 63617 CHEMBL531 ChemSpider: 43503 Drugs Product Database (DPD): 11339 C07425 PharmGKB: PA450873 PubChem:47811 PubChem:46507604 RxCUI: 8047 Therapeutic Targets Database: DAP000069 Wikipedia: Pergolide ZINC: ZINC000003786466
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 7.9 | Ki | BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 7.3 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.9 | IC50 | ChEMBL;BindingDB |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 6.8 | Ki | BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (16)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | agonist | targets |
| P08913 | ADRA2A | Alpha-2 adrenergic receptors | agonist | targets |
| P14416 | DRD2 | D(2) dopamine receptor | agonist | targets |
| P21728 | DRD1 | D(1A) dopamine receptor | agonist | targets |
| P21917 | DRD4 | D(4) dopamine receptor | agonist | targets |
| P21918 | DRD5 | D(1B) dopamine receptor | agonist | targets |
| P25100 | ADRA1D | Alpha-1D adrenergic receptor | agonist | targets |
| P28221 | HTR1D | 5-hydroxytryptamine receptor 1D | agonist | targets |
| P28222 | HTR1B | 5-hydroxytryptamine receptor 1B | agonist | targets |
| P28223 | HTR2A | 5-hydroxytryptamine receptor 2A | agonist | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | agonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | agonist | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | agonist | targets |
| P35462 | DRD3 | D(3) dopamine receptor | agonist | targets |
| P41595 | HTR2B | 5-hydroxytryptamine receptor 2B | agonist | targets |