CHEMBL382871


SMILES O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2cc(CN3CCOCC3)on2)C[C@H]1Cc1c[nH]c2ccccc12
InChIKey VRTWFRRSCWHIJE-RUZDIDTESA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 635.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKd 9.1 9.1 9.1 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.9 7.9 7.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database