Ligand Data

Ligand

id 88891
Name CHEMBL240249
SMILES CN(CCCN1CC(OC1=O)C2=C3C=C(C=CC3=NC=C2)OC)CC4=CC5=CC=CC=C5N4
InChIKey AEAOMQAWGDKZCV-UHFFFAOYSA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight 444.5


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
CCR8 ccr8_human Human Chemokine receptors Class A (Rhodopsin) 6309.57 6309.57 6309.57