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®
Comments
Vorapaxar is an orally active thrombin receptor antagonist based on the natural product himbacine [1], used as anti-thrombotic agent.
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