CHEMBL66106


SMILES CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCCC2=O)CC1)c1ccc(Cl)c(Cl)c1
InChIKey CXFWIZDXIZCABO-AWQADKOQSA-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
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 pKi 8.7 8.7 8.7 ChEMBL
NK2 NK2R Guinea pig Tachykinin A pKd 7.3 7.3 7.3 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKi 8.3 8.3 8.3 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.33 8.33 8.33 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.8 8.8 8.8 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database