vorapaxar


SMILES CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C
InChIKey ZBGXUVOIWDMMJE-QHNZEKIYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 492.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 3VW7

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR1 PAR1 Human Proteinase-activated A pKi 7.89 8.22 8.96 ChEMBL
PAR1 PAR1 Human Proteinase-activated A pKi 8.09 8.09 8.09 Drug Central
PAR1 PAR1 Human Proteinase-activated A pKi 8.09 8.09 8.09 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR1 PAR1 Human Proteinase-activated A pIC50 6.6 7.56 8.96 ChEMBL