butaprost (free acid form)

Ligand id: 1892

Name: butaprost (free acid form)

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 94.83
Molecular weight 394.27
XLogP 3.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
7-[(1R,2R,3R)-3-hydroxy-2-[(E,4S)-4-hydroxy-4-(1-propylcyclobutyl)but-1-enyl]-5-oxocyclopentyl]heptanoic acid
Synonyms
butaprost acid
Comments
The free acid form of butaprost shown here is often used experimentally. However, the INN-assigned structure of butaprost does not have the free acid group.
Database Links
ChEMBL Ligand CHEMBL1628262
GtoPdb PubChem SID 135650038
PubChem CID 25886893
Search Google for chemical match using the InChIKey PAYNQYXOKJDXAV-ZHIWTBQHSA-N
Search Google for chemicals with the same backbone PAYNQYXOKJDXAV
Search UniChem for chemical match using the InChIKey PAYNQYXOKJDXAV-ZHIWTBQHSA-N
Search UniChem for chemicals with the same backbone PAYNQYXOKJDXAV