CHEMBL115633


SMILES CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](/C=C/C(=O)N[C@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1
InChIKey BHCJHYIMNHXLOM-HUHHHVMHSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 623.1

Drug properties

Molecular type Small molecule
Endogenous/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 6.74 6.74 6.74 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.74 7.74 7.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database