fluprostenol

Ligand id: 1940

Name: fluprostenol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 107.22
Molecular weight 458.19
XLogP 3.97
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoic acid
International Nonproprietary Names
INN number INN
3794 fluprostenol
Synonyms
ICI 81008
Database Links
CAS Registry No. 40666-16-8 (source: Scifinder)
ChEMBL Ligand CHEMBL1201379
PubChem CID 5311100
Search Google for chemical match using the InChIKey WWSWYXNVCBLWNZ-QIZQQNKQSA-N
Search Google for chemicals with the same backbone WWSWYXNVCBLWNZ
Search PubMed clinical trials fluprostenol
Search PubMed titles fluprostenol
Search PubMed titles/abstracts fluprostenol
Search UniChem for chemical match using the InChIKey WWSWYXNVCBLWNZ-QIZQQNKQSA-N
Search UniChem for chemicals with the same backbone WWSWYXNVCBLWNZ
Comments
The INN-assigned compound fluprostenol is a racemic mixture of two enantiomers. The structure shown here shows the stereochemistry of the more active of these enantiomers, and the PubChem and ChEMBL entries linked to in the table above also represent this enantiomer. For an alternative stereoisomers see CID 6436637.