vorapaxar

Ligand id: 4047

Name: vorapaxar

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 77.52
Molecular weight 492.24
XLogP 6.44
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2014))
IUPAC Name
ethyl N-[(3R,3aS,4S,4aR,7R,8aR,9aR)-4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-3-methyl-1-oxo-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-naphtho[6,7-c]furan-7-yl]carbamate
International Nonproprietary Names
INN number INN
8852 vorapaxar
Synonyms
SCH 530348 | SCH-530348 | SCH530348 | Zontivity®
Database Links
CAS Registry No. 618385-01-6
ChEMBL Ligand CHEMBL493982
GtoPdb PubChem SID 178100871
PubChem CID 10077130
RCSB PDB Ligand VPX
Search Google for chemical match using the InChIKey ZBGXUVOIWDMMJE-QHNZEKIYSA-N
Search Google for chemicals with the same backbone ZBGXUVOIWDMMJE
Search PubMed clinical trials vorapaxar
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Search UniChem for chemical match using the InChIKey ZBGXUVOIWDMMJE-QHNZEKIYSA-N
Search UniChem for chemicals with the same backbone ZBGXUVOIWDMMJE
SynPHARM 9403 (in complex with PAR1)
Wikipedia Vorapaxar
Comments
Vorapaxar is an orally active thrombin receptor antagonist based on the natural product himbacine [1], used as anti-thrombotic agent.