bromocriptine
| SMILES | CC(C[C@H]1C(=O)N2CCC[C@H]2[C@]2(N1C(=O)[C@@](O2)(NC(=O)[C@H]1CN(C)[C@H]2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C |
| InChIKey | OZVBMTJYIDMWIL-AYFBDAFISA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 653.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.9 | 7.9 | 7.9 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.1 | 6.1 | 6.1 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.1 | 7.65 | 8.2 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.4 | 6.4 | 6.4 | Guide to Pharmacology |
| D5 | DRD5 | Human | Dopamine | A | pKi | 6.3 | 6.3 | 6.3 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.71 | 8.71 | 8.71 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.55 | 8.55 | 8.55 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.26 | 8.26 | 8.26 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.28 | 8.28 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 7.77 | 8.09 | 8.4 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.49 | 8.49 | 8.49 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.06 | 8.38 | 9.7 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.82 | 8.23 | 9.28 | ChEMBL |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 6.68 | 6.69 | 6.7 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.31 | 7.64 | 7.97 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.48 | 7.48 | 7.48 | PDSP Ki database |
| 5-HT6 | 5HT6R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.72 | 8.37 | 9.21 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.92 | 8.23 | 8.68 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.08 | 7.73 | 8.28 | PDSP Ki database |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.16 | 6.17 | 6.17 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 6.27 | 6.3 | 6.34 | PDSP Ki database |
| D2 | DRD2 | Mouse | Dopamine | A | pKi | 9.16 | 9.16 | 9.16 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.38 | 8.66 | 8.95 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.96 | 7.96 | 7.96 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.46 | 7.46 | 7.46 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.43 | 6.49 | 6.55 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.45 | 6.45 | 6.45 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.97 | 7.98 | 8.0 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.55 | 7.55 | 7.55 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.13 | 6.13 | 6.13 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.97 | 6.97 | 6.97 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.13 | 6.13 | 6.13 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D4 | DRD4 | Rat | Dopamine | A | pKi | 6.47 | 6.47 | 6.47 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.89 | 7.93 | 8.0 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.25 | 7.25 | 7.25 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.86 | 8.86 | 8.86 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 6.23 | 6.23 | 6.23 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.3 | 7.8 | 8.3 | Guide to Pharmacology |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 8.13 | 8.13 | 8.13 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.95 | 6.95 | 6.95 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.65 | 8.0 | Guide to Pharmacology |
| 5-HT1A | A0A4X1UTF5 | Pig | 5-Hydroxytryptamine | A | pKi | 7.59 | 7.59 | 7.59 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.99 | 6.99 | 6.99 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 8.45 | 8.45 | 8.45 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 7.46 | 7.46 | 7.46 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 6.28 | 6.28 | 6.28 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pIC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 7.82 | 7.82 | 7.82 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 8.08 | 8.08 | 8.08 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.54 | 5.54 | 5.54 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.25 | 8.25 | 8.25 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.27 | 6.27 | 6.27 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 5.8 | 5.8 | 5.8 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.75 | 8.75 | 8.75 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 7.44 | 7.44 | 7.44 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 9.22 | 9.22 | 9.22 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.8 | 8.8 | 8.8 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pEC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.08 | 8.08 | 8.08 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |