ORVEPITANT


SMILES Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey XWNBGDJPEXZSQM-VZOBGQTKSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 628.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Mongolian jird Tachykinin A pKi 10.5 10.5 10.5 ChEMBL
PAF PTAFR Human Platelet-activating factor A pKi 5.64 5.64 5.64 ChEMBL
NK1 NK1R Human Tachykinin A pKi 10.2 10.2 10.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database