CHEMBL107469


SMILES CC(=O)Nc1nc(CN2CCC(NCC(=O)N3CCN(C(=O)c4cc(C)cc(C)c4)C[C@H]3c3ccc(Cl)c(Cl)c3)CC2)cs1
InChIKey PTIYKSDBVLRZAO-LJAQVGFWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 656.2

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 9.05 9.05 9.05 ChEMBL
NK1 NK1R Human Tachykinin A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database