CHEMBL60504


SMILES CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(N2CCCC(CC(=O)N3CCOCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1
InChIKey JMBOHNIWYYCZCP-XNMHLFPNSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 12
Molecular weight (Da) 767.2

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
NK2 NK2R Guinea pig Tachykinin A pKd 7.9 7.9 7.9 ChEMBL
NK2 NK2R Guinea pig Tachykinin A pKi 9.4 9.4 9.4 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKd 7.8 7.8 7.8 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKi 9.15 9.15 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database