pergolide   Click here for help

GtoPdb Ligand ID: 48

Synonyms: LY-127809 | Permax®
Approved drug
pergolide is an approved drug (FDA (1988))
Compound class: Synthetic organic
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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1988))
Withdrawn drug? Yes
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4651 pergolide
Synonyms Click here for help
LY-127809 | Permax®
Database Links Click here for help
Specialist databases
GPCRdb Ligand pergolide
Other databases
CAS Registry No. 66104-22-1 (source: Scifinder)
DrugBank Ligand DB01186
DrugCentral Ligand 2105
GtoPdb PubChem SID 135650809
PubChem CID 47811
Search Google for chemical match using the InChIKey YEHCICAEULNIGD-MZMPZRCHSA-N
Search Google for chemicals with the same backbone YEHCICAEULNIGD
Search PubMed clinical trials pergolide
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Search PubMed titles/abstracts pergolide
UniChem Compound Search for chemical match using the InChIKey YEHCICAEULNIGD-MZMPZRCHSA-N
UniChem Connectivity Search for chemical match using the InChIKey YEHCICAEULNIGD-MZMPZRCHSA-N
Wikipedia Pergolide