cabergoline
| SMILES | C=CCN1C[C@@H](C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3)C(=O)N(C(=O)NCC)CCCN(C)C |
| InChIKey | KORNTPPJEAJQIU-KJXAQDMKSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 451.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | D3 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.9 | 8.9 | 8.9 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.0 | 9.1 | 9.2 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.85 | 8.85 | 8.85 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 7.89 | 7.89 | 7.89 | ChEMBL |