CHEMBL1682680


SMILES CN(Cc1ccc(F)cc1)C(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1CN1CCN(S(=O)(=O)N(C)C)CC1
InChIKey JEZKKPXWSVQUPH-NBGIEHNGSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 8
Molecular weight (Da) 556.1

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 7.12 7.12 7.12 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.47 6.47 6.47 ChEMBL
NK3 NK3R Human Tachykinin A pKi 8.12 8.12 8.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database