cloprostenol

Ligand id: 1894

Name: cloprostenol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 107.22
Molecular weight 424.17
XLogP 2.95
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)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
International Nonproprietary Names
INN number INN
3793 cloprostenol
Synonyms
ICI 80996
Database Links
BindingDB Ligand 50085910
CAS Registry No. 40665-92-7 (source: Scifinder)
ChEMBL Ligand CHEMBL37853
PubChem CID 5311053
Search Google for chemical match using the InChIKey VJGGHXVGBSZVMZ-QIZQQNKQSA-N
Search Google for chemicals with the same backbone VJGGHXVGBSZVMZ
Search PubMed clinical trials cloprostenol
Search PubMed titles cloprostenol
Search PubMed titles/abstracts cloprostenol
Search UniChem for chemical match using the InChIKey VJGGHXVGBSZVMZ-QIZQQNKQSA-N
Search UniChem for chemicals with the same backbone VJGGHXVGBSZVMZ
Comments
The INN-assigned compound of cloprostenol is a racemic mixture of two enantiomers. The structure shown here represents one of these enantiomers.