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
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.
Database Links
CAS Registry No. 85505-64-2 (source: Scifinder)
ChEMBL Ligand CHEMBL65030
GtoPdb PubChem SID 135650318
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
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Search UniChem for chemical match using the InChIKey GQGRDYWMOPRROR-XUSMOFMBSA-N
Search UniChem for chemicals with the same backbone GQGRDYWMOPRROR