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


Summary Biological activity References Structure Similar ligands
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
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
epoprostenol
PGI2
prostacyclin
prostacyclin I2
prostaglandin I2
prostaglandin X
vasocyclin
Database Links
CAS Registry No. 35121-78-9 (source: Scifinder)
ChEBI CHEBI:15552
ChEMBL Ligand 222943, 275331, 106281
DrugBank Ligand DB01240
Human Metabolome Database HMDB01335
PharmGKB Drug PA449479
PubChem CID 5282411
Search on ChemSpider KAQKFAOMNZTLHT-OZUDYXHBSA-N
Wikipedia Prostacyclin
ZINC ZINC03813078
iPHACE GHH8EW7Y

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org