CHEMBL1760339


SMILES COc1ccccc1CN1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1
InChIKey UUOUKHVFSLUAIM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 410.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pKi 5.72 5.72 5.72 ChEMBL
NK2 NK2R Human Tachykinin A pKi 4.72 4.72 4.72 ChEMBL
NK3 NK3R Human Tachykinin A pKi 6.31 6.31 6.31 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 5.4 5.4 5.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Human Tachykinin A pIC50 6.89 6.89 6.89 ChEMBL