pergolide

Ligand id: 48

Name: pergolide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.33
Molecular weight 314.18
XLogP 4.3
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (1988))
Withdrawn drug? Yes
IUPAC Name
(2R,4R,7R)-4-[(methylsulfanyl)methyl]-6-propyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),9,12,14-tetraene
International Nonproprietary Names
INN number INN
4651 pergolide
Synonyms
LY-127809 | Permax®
Database Links
CAS Registry No. 66104-22-1 (source: Scifinder)
ChEBI CHEBI:63617
ChEMBL Ligand CHEMBL531
DrugBank Ligand DB01186
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
Search PubMed titles pergolide
Search PubMed titles/abstracts pergolide
Search UniChem for chemical match using the InChIKey YEHCICAEULNIGD-MZMPZRCHSA-N
Search UniChem for chemicals with the same backbone YEHCICAEULNIGD
Wikipedia Pergolide
Comments
Marketed formulations may contain pergolide mesylate (PubChem CID 47812).