CHEMBL76334


SMILES O/N=C(/COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIKey JRQLUGQQZPCLHN-VDMDNSBISA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 662.2

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
NK2 NK2R Human Tachykinin A pKi 6.45 6.45 6.45 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.47 7.47 7.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database