vapiprost

Ligand id: 1976

Name: vapiprost

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 70
Molecular weight 477.29
XLogP 8.1
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(Z)-7-[(1R,2R,3S,5S)-3-hydroxy-5-[(4-phenylphenyl)methoxy]-2-piperidin-1-ylcyclopentyl]hept-4-enoic acid
International Nonproprietary Names
INN number INN
6219 vapiprost
Synonyms
GR 32191 | GR-32191 | GR32191
Database Links
CAS Registry No. 85505-64-2 (source: Scifinder)
ChEMBL Ligand CHEMBL65030
PubChem CID 6918030
Search Google for chemical match using the InChIKey GQGRDYWMOPRROR-XUSMOFMBSA-N
Search Google for chemicals with the same backbone GQGRDYWMOPRROR
Search PubMed clinical trials vapiprost
Search PubMed titles vapiprost
Search PubMed titles/abstracts vapiprost
Search UniChem for chemical match using the InChIKey GQGRDYWMOPRROR-XUSMOFMBSA-N
Search UniChem for chemicals with the same backbone GQGRDYWMOPRROR
Comments
The chirality of vapiprost as specified by the INN document is (Z)-(1R,2R,3S,5S)- and it is this structure that is shown here, and matches that specified by the PubChem link above. Vapiprost is also represented as with the chirality shown by CID 6436588.