CHEMBL76823


SMILES CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCN(Cc3ccsc3)C2=O)CC1)c1ccc(Cl)c(Cl)c1
InChIKey HNYCTUJIKKNHPR-YCTXJJCUSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 12
Molecular weight (Da) 737.2

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
NK3 NK3R Human Tachykinin A pKi 8.49 8.49 8.49 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.92 8.92 8.92 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.62 8.62 8.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database