PGI2

Ligand Id: 1915
Ligand name PGI2

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 86.99
Molecular weight 352.22
XLogP 2.98
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1995))
IUPAC Name
(5Z)-5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(E,3S)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[d]furan-2-ylidene]pentanoic acid
International Nonproprietary Names
INN number INN
4725 epoprostenol
Synonyms
prostacyclin
prostacyclin I2
prostaglandin I2
vasocyclin
Database Links
CAS Registry No. 35121-78-9 (source: Scifinder)
ChEBI CHEBI:15552
ChEMBL Ligand CHEMBL495
DrugBank Ligand DB01240
Human Metabolome Database HMDB01335
PharmGKB Drug PA449479
PubChem CID 5282411
Search Google for chemical match using the InChIKey KAQKFAOMNZTLHT-OZUDYXHBSA-N
Search Google for chemicals with the same backbone KAQKFAOMNZTLHT
Search PubMed clinical trials epoprostenol
Search PubMed titles epoprostenol
Search PubMed titles/abstracts epoprostenol
Wikipedia Prostacyclin