GPCRdb

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

PubChem Guide To Pharmacology ChEMBL_compound_ids Drug Central DrugBank PubChem GPCRdb

Sankey plot

Compound is not listed as a drug.

Bioactivities

Affinity
Potency

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