CHEMBL440679


SMILES CO/N=C(\CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(N2CCCC(CC(=O)[S+]3CCNCC3)C2=O)CC1)c1ccc(Cl)c(Cl)c1
InChIKey QOBSQVPUXRQIEE-JBXJJHIASA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 12
Molecular weight (Da) 784.2

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 6.2 6.2 6.2 ChEMBL
NK1 NK1R Guinea pig Tachykinin A pKi 9.0 9.0 9.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database