vestipitant


SMILES Fc1ccc(c(c1)C)[C@H]1CNCCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C
InChIKey SBBYBXSFWOLDDG-JLTOFOAXSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 491.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 9.6 9.63 9.65 ChEMBL
NK1 NK1R Human Tachykinin A pKd 10.52 10.52 10.52 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.37 9.37 9.37 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 9.6 9.6 9.6 ChEMBL