Molecule Details
| InChIKey | OZVBMTJYIDMWIL-AYFBDAFISA-N |
|---|---|
| Compound Name | Bromocriptine |
| Canonical SMILES | CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 20 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.29 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01200 |
|---|---|
| Drug Name | Bromocriptine |
| CAS Number | 25614-03-3 |
| Groups | approved investigational withdrawn |
| ATC Codes | N04BC01 G02CB01 |
| Description | Bromocriptine mesylate is a semisynthetic ergot alkaloid derivative with potent dopaminergic activity. It inhibits prolactin secretion and may be used to treat dysfunctions associated with hyperprolactinemia. Bromocriptine is also indicated for the management of signs and symptoms of Parkinsonian Sy... |
Categories: Adrenergic Agonists Adrenergic Antagonists Adrenergic alpha-1 Receptor Agonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Adrenergic alpha-Antagonists Agents producing tachycardia Agents that produce hypertension Alkaloids Anti-Dyskinesia Agents Anti-Parkinson Agents (Dopamine Agonist) Anti-Parkinson Drugs Antidepressive Agents Blood Glucose Lowering 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 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Dopamine Agents Dopamine Agonists Ergolines Ergot Alkaloids and Derivatives Ergot-derivative Dopamine Receptor Agonists Ergotamines Genito Urinary System and Sex Hormones Heterocyclic Compounds, Fused-Ring Hormone Antagonists Hormones, Hormone Substitutes, and Hormone Antagonists Hypotensive Agents Nervous System Neurotransmitter Agents P-glycoprotein inhibitors P-glycoprotein substrates Prolactine Inhibitors Serotonin 5-HT2 Receptor Agonists Serotonin Agents Serotonin Modulators Serotonin Receptor Agonists
Cross-references: BindingDB: 81993 ChEBI: 3181 CHEMBL493 ChemSpider: 28858 Drugs Product Database (DPD): 11220 C06856 D03165 PDB: 08Y PharmGKB: PA448671 PubChem:31101 PubChem:46505504 RxCUI: 1760 Therapeutic Targets Database: DAP001462 Wikipedia: Bromocriptine ZINC: ZINC000053683151
Target Activities (20)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 8.9 | Ki | BindingDB |
| P35462 | DRD3 | Homo sapiens | Human | PF00001 | 8.2 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P14416 | DRD2 | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 8.0 | Ki | BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.8 | Ki | ChEMBL;BindingDB |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.1 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 6.5 | Ki | BindingDB |
| P21917 | DRD4 | Homo sapiens | Human | PF00001 | 6.4 | Ki | ChEMBL;BindingDB |
| P21918 | DRD5 | Homo sapiens | Human | PF00001 | 6.3 | Ki | BindingDB |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL;BindingDB |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P21728 | DRD1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | BindingDB |
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 6.1 | Ki | BindingDB |
DrugBank Target Actions (24)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | agonist | targets |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | agonist | targets |
| P14416 | DRD2 | D(2) dopamine receptor | agonist | targets |
| P18089 | ADRA2B | Alpha-2B adrenergic receptor | agonist | targets |
| P18825 | ADRA2C | Alpha-2C adrenergic receptor | agonist | targets |
| P21728 | DRD1 | D(1A) 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 |
| P21917 | DRD4 | D(4) dopamine receptor | antagonist | targets |
| P34969 | HTR7 | 5-hydroxytryptamine receptor 7 | antagonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | antagonist | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | antagonist | targets |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |