Ligand Data

Ligand

id 119926
Name CHEMBL345208
SMILES Oc1ccc2c3c1O[C@H]1[C@H](OCc4ccccc4N=C=S)CC[C@@]4(O)C(C2)N(CC2CC2)CCC314
InChIKey ASQKMNDCAVTNOQ-OWGJQLEISA-N
Type small-molecule
External Links

Structure

Properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight 490.2


Bioactivity

Receptor Affinity (nM) Potency (nM)
GTP Uniprot Species Family Class Min Avg Max Min Avg Max
κ OPRK Guinea pig Opioid A (Rhodopsin) 8.2 8.2 8.2
δ OPRD Human Opioid A (Rhodopsin) 1.8 1.8 1.8