CHEMBL77752


SMILES CO/N=C(\COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(CCN1CCN(CC(=O)N(C)C2CCCCC2)CC1)c1ccc(Cl)c(Cl)c1
InChIKey JBKANADLNPFWIK-XVDWRUNBSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 13
Molecular weight (Da) 738.3

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 6.95 6.95 6.95 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database