CHEMBL75018


SMILES CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC(O)C2)CC1)c1ccc(Cl)c(Cl)c1
InChIKey CBVMBZMUENWLBJ-JFXHSDHMSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 712.2

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 7.52 7.52 7.52 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.8 7.8 7.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database