CHEMBL135022


SMILES COc1ccccc1CNC1CCCN[C@H]1c1ccccc1
InChIKey DTQNEFOKTXXQKV-NNBQYGFHSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 296.2

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 9.77 9.77 9.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK1 NK1R Human Tachykinin A pIC50 9.3 9.3 9.3 ChEMBL