CHEMBL86053


SMILES COc1ccc(N2CN(CC(=O)N3CCC4(CC3)C(=O)N(C)C(=O)N4Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2=O)cc1OC
InChIKey LLDXCQQWICNMIB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 671.2

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 5.77 5.77 5.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database