CHEMBL68060


SMILES CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1
InChIKey CXFWIZDXIZCABO-NSVMSHEGSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 640.2

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 Guinea pig Tachykinin A pKi 9.0 9.05 9.1 ChEMBL
NK2 NK2R Guinea pig Tachykinin A pKd 7.7 7.7 7.7 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKi 8.92 8.96 9.0 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKd 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database