Ligand Data

Ligand

id 99500
Name CHEMBL279674
SMILES COc1ccccc1N1CCN(C(=O)CCc2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)CC1
InChIKey NNGQEROFSCIFQE-UHFFFAOYSA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight 473.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
NK1 NK1R Human Tachykinin A (Rhodopsin) 5.6 5.6 5.6