CHEMBL320548


SMILES Cc1cc(C)cc(C(=O)N2CCN(C(=O)CNC3CCN(Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1
InChIKey MUQJKGMXKAWCJF-WJOKGBTCSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 592.2

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
NK1 NK1R Guinea pig Tachykinin A pKd 8.2 8.2 8.2 ChEMBL
NK2 NK2R Human Tachykinin A pKi 6.66 6.66 6.66 ChEMBL
NK1 NK1R Human Tachykinin A pKi 9.05 9.05 9.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database