pergolide   Click here for help

GtoPdb Ligand ID: 48

Synonyms: LY-127809 | Permax®
Approved drug
pergolide is an approved drug (FDA (1988))
Comment: Marketed formulations may contain pergolide mesylate (PubChem CID 47812).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.33
Molecular weight 314.18
XLogP 4.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCN1CC(CSC)CC2C1Cc1c[nH]c3c1c2ccc3
Isomeric SMILES CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc1c[nH]c3c1c2ccc3
InChI InChI=1S/C19H26N2S/c1-3-7-21-11-13(12-22-2)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16-,18-/m1/s1
InChI Key YEHCICAEULNIGD-MZMPZRCHSA-N
No information available.
Summary of Clinical Use Click here for help
Used in the treatment of Parkinson's disease as an adjunctive to levodopa or carbidopa. For this indication the drug's primary molecular targets are the central dopamine receptors.
However, the drug's off-target agonist activity at 5-HT2B receptors appears to have been responsible for unacceptable levels of drug-induced cardiac valve damage [1] which lead to the drug's withdrawal from the US market in 2007.
Mechanism Of Action and Pharmacodynamic Effects Click here for help
For an overview of the mechanism of action of pergolide, please follow the DrugBank link on the Summary tab of this ligand page.