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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7JVR 6VMS
Ligand site mutations 5-HT2A D2

Sankey plot

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-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 Guide to Pharmacology
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 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
5-HT6 5HT6R Rat 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 Guide to Pharmacology
α2B ADA2B Human Adrenoceptors A pKi 6.9 7.2 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
D2 DRD2 Human Dopamine A pKi 7.3 7.8 8.3 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 7.1 7.65 8.2 Guide to Pharmacology
D5 DRD5 Human Dopamine A pKi 6.3 6.3 6.3 Guide to Pharmacology
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.3 7.65 8.0 Guide to Pharmacology
D2 DRD2 Rat Dopamine A pKi 7.3 7.3 7.3 Guide to Pharmacology
D3 DRD3 Human Dopamine A pKi 7.92 8.23 8.68 PDSP Ki database
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
α1A ADA1A Rat Adrenoceptors A pKi 8.55 8.55 8.55 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.82 7.82 7.82 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.8 7.8 7.8 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.12 7.12 7.12 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.08 7.73 8.28 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 5.86 5.86 5.86 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
α2A ADA2A Human Adrenoceptors A pKi 8.26 8.26 8.26 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.84 5.84 5.84 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.28 8.28 8.28 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.72 8.37 9.21 PDSP Ki database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.56 6.56 6.56 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.06 8.38 9.7 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 7.62 7.62 7.62 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.82 8.23 9.28 ChEMBL
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 6.95 6.95 6.95 PDSP Ki database
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 6.68 6.69 6.7 PDSP Ki database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 7.48 7.48 7.48 PDSP Ki database
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 7.31 7.64 7.97 PDSP Ki database
5-HT6 5HT6R Mouse 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 PDSP Ki database
5-HT7 5HT7R Mouse 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 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
D1 DRD1 Human Dopamine A pKi 6.16 6.17 6.17 PDSP Ki database
D4 DRD4 Human Dopamine A pKi 6.43 6.49 6.55 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
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-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 6.45 6.45 6.45 PDSP Ki database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 6.97 6.97 6.97 PDSP Ki database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.25 7.25 7.25 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-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 7.97 7.98 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-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 8.0 8.0 8.0 Guide to Pharmacology
α1B ADA1B Human Adrenoceptors A pKi 8.86 8.86 8.86 PDSP Ki database
α2A ADA2A Human Adrenoceptors A pKi 8.0 8.15 8.3 Guide to Pharmacology
β1 ADRB1 Human Adrenoceptors A pKi 6.23 6.23 6.23 PDSP Ki database
β1 ADRB1 Human Adrenoceptors A pKi 8.23 8.23 8.23 Drug Central
D4 DRD4 Human Dopamine A pKi 6.4 6.4 6.4 Guide to Pharmacology
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 6.95 6.95 6.95 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 8.14 8.14 8.14 Drug Central
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
α1A ADA1A Rat Adrenoceptors A pIC50 8.16 8.16 8.16 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.52 7.52 7.52 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.46 7.46 7.46 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 6.28 6.28 6.28 ChEMBL
β1 ADRB1 Human Adrenoceptors A pIC50 5.62 5.62 5.62 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pIC50 8.25 8.25 8.25 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 7.82 7.82 7.82 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.54 5.54 5.54 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 7.66 7.66 7.66 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 8.08 8.08 8.08 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
D3 DRD3 Human Dopamine A pIC50 9.22 9.22 9.22 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.44 7.44 7.44 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pEC50 8.75 8.75 8.75 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