bromocriptine   Click here for help

GtoPdb Ligand ID: 35

Synonyms: 2-bromoergocryptine | bromocryptine | CB-154 | Parlodel®
Approved drug PDB Ligand
bromocriptine is an approved drug (FDA (1978))
Compound class: Synthetic organic
Comment: Bromocriptine exhibits potent dopaminergic activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 118.21
Molecular weight 653.22
XLogP 3.79
No. Lipinski's rules broken 0
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Canonical SMILES CC(CC1C(=O)N2CCCC2C2(N1C(=O)C(O2)(NC(=O)C1CN(C)C2C(=C1)c1cccc3c1c(C2)c([nH]3)Br)C(C)C)O)C
Isomeric 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
InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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Summary of Clinical Use Click here for help
Used in the treatment of Parkinson's disease, pituitary tumours and type II diabetes. Bromocriptine is used to treat some cases of hyperprolactinemia and acromegaly.