CHEMBL32385


SMILES CO/N=C(\COCc1cc(Br)cc(Br)c1)C(CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1
InChIKey LABWVNPAFKLFSL-OZMGXUMRSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 11
Molecular weight (Da) 696.0

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 Human Tachykinin A pKi 7.82 7.82 7.82 ChEMBL
NK1 NK1R Human Tachykinin A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database