casopitant


SMILES Fc1ccc(c(c1)C)[C@H]1C[C@H](CCN1C(=O)N([C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C)C)N1CCN(CC1)C(=O)C
InChIKey XGGTZCKQRWXCHW-WMTVXVAQSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 616.3

Drug properties

Molecular type Small molecule
Physiological/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 9.4 9.4 9.4 Guide to Pharmacology
NK1 NK1R Human Tachykinin A pKi 8.0 8.0 8.0 Drug Central
NK1 NK1R Human Tachykinin A pKi 9.48 9.69 9.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database