Molecule Details
| InChIKey | KORNTPPJEAJQIU-KJXAQDMKSA-N |
|---|---|
| Compound Name | Cabergoline |
| Canonical SMILES | C=CCN1C[C@H](C(=O)N(CCCN(C)C)C(=O)NCC)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.05 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00248 |
|---|---|
| Drug Name | Cabergoline |
| CAS Number | 81409-90-7 |
| Groups | approved investigational |
| ATC Codes | N04BC06 G02CB03 |
| Description | Cabergoline, an ergot derivative, is a long-acting dopamine agonist and prolactin inhibitor. It is used to treat hyperprolactinemic disorders and Parkinsonian Syndrome. Cabergoline possesses potent agonist activity on dopamine D2 receptors. |
Categories: Agents that produce hypertension Alkaloids Anti-Dyskinesia Agents Anti-Parkinson Drugs Antidepressive Agents Antineoplastic Agents Central Nervous System Agents Central Nervous System Depressants Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine Agonists Ergolines Ergot Alkaloids and Derivatives Ergot-derivative Dopamine Receptor Agonists Genito Urinary System and Sex Hormones Heterocyclic Compounds, Fused-Ring Narrow Therapeutic Index Drugs Nervous System Neurotransmitter Agents P-glycoprotein substrates P-glycoprotein substrates with a Narrow Therapeutic Index Prolactine Inhibitors Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT1 Receptor Agonists Serotonin 5-HT2 Receptor Agonists Serotonin Agents Serotonin Modulators Serotonin Receptor Agonists
Cross-references: BindingDB: 50426497 ChEBI: 3286 CHEMBL1201087 ChemSpider: 49452 Drugs Product Database (DPD): 12006 Guide to Pharmacology: 37 IUPHAR: 37 C08187 D00987 PharmGKB: PA448708 PubChem:54746 PubChem:46508571 RxCUI: 47579 Therapeutic Targets Database: DAP000251 Wikipedia: Cabergoline ZINC: ZINC000003800008
Target Activities (3)
DrugBank Target Actions (22)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | 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 |
| 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 |
| P35462 | DRD3 | D(3) dopamine receptor | agonist | targets |
| P41595 | HTR2B | 5-hydroxytryptamine receptor 2B | agonist | targets |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | antagonist | targets |
| P18089 | ADRA2B | Alpha-2B adrenergic receptor | antagonist | targets |
| P18825 | ADRA2C | Alpha-2C adrenergic receptor | antagonist | targets |
| P34969 | HTR7 | 5-hydroxytryptamine receptor 7 | antagonist | targets |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | binder | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | binder | targets |
| P25100 | ADRA1D | Alpha-1D adrenergic receptor | binder | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | binder | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | binder | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |