Ligand Data

Ligand

id 110507
Name CHEMBL3608938
SMILES CCCCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)NC(=O)C(CC4=CC=CC=C4)NC(=O)CNC(=O)C(C)NC(=O)C(CC5=CC=C(C=C5)O)N
InChIKey HNLXDBKQNYDVCI-WFKCRPRESA-N
Type small molecule
External Links

Structure

Properties

Hydrogen bond acceptors 15
Hydrogen bond donors 8
Rotatable bonds 23
Molecular weight 982.0


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
δ oprd_human Human Opioid receptors Class A (Rhodopsin) 0.38 0.38 0.38
μ oprm_rat Rat Opioid receptors Class A (Rhodopsin) 25.0 25.0 25.0
δ oprd_mouse Mouse Opioid receptors Class A (Rhodopsin) 6.0 6.0 6.0