bromocriptine [1504]



bromocriptine


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
InChIKey OZVBMTJYIDMWIL-AYFBDAFISA-N

Chemical Properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Log P 3.193
Molecular weight (Da) 653.2
Stereochemistry info partial

Database connections

Structure pdb 6VMS 7JVR
Model (Boltz2) D3 D2 D4
Ligand site mutations 5-HT2A D2
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

bromocriptine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Distribution across phases (no. indications)

Phase I 6
Phase II 9
Phase III 0
Phase IV 16

Database connections

Structure pdb 6VMS 7JVR
Model (Boltz2) D3 D2 D4
Ligand site mutations 5-HT2A D2
GPCRdb related ligands

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score