CHEMBL4160748


SMILES COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)c(F)c1F
InChIKey NYBZCKAQIIPSDS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 357.1

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 Human Tachykinin A pKi 6.19 6.19 6.19 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
mGlu8 GRM8 Rat Metabotropic glutamate C pEC50 5.58 5.58 5.58 ChEMBL
mGlu8 GRM8 Human Metabotropic glutamate C pEC50 5.58 5.58 5.58 ChEMBL
mGlu7 GRM7 Human Metabotropic glutamate C pEC50 6.19 6.19 6.19 ChEMBL
mGlu7 GRM7 Rat Metabotropic glutamate C pEC50 6.19 6.19 6.19 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 5.47 5.47 5.47 ChEMBL