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
CCK1 CCKAR Human Cholecystokinin A pKi 7.5 7.52 7.54 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 9.86 9.94 10.1 ChEMBL
CCK2 GASR Human Cholecystokinin A pKi 9.6 9.6 9.6 Guide to Pharmacology
CCK2 GASR Rat Cholecystokinin A pKd 10.1 10.1 10.1 ChEMBL
CCK1 CCKAR Guinea pig Cholecystokinin A pKi 6.4 6.4 6.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.3 6.3 6.3 ChEMBL
CCK2 GASR Human Cholecystokinin A pIC50 9.7 9.7 9.7 Guide to Pharmacology
CCK2 GASR Rat Cholecystokinin A pIC50 10.0 10.0 10.0 ChEMBL
CCK1 CCKAR Rat Cholecystokinin A pIC50 6.9 6.9 6.9 Guide to Pharmacology