CHEMBL78070


SMILES CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N2CCC[C@H]2C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
InChIKey PXOYMRRBWTYUBA-BMZRIGGGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 13
Molecular weight (Da) 739.2

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 7.58 7.58 7.58 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.62 7.62 7.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database