HS665   

GtoPdb Ligand ID: 9189

Synonyms: compound 4 [PMID: 23134120]
Compound class: Synthetic organic
Comment: HS665 is a highly potent and selective κ opioid receptor agonist [1].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 23.47
Molecular weight 309.21
XLogP 4.7
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Oc1cccc(c1)CCN(CC1CCC1)CCc1ccccc1
Isomeric SMILES Oc1cccc(c1)CCN(CC1CCC1)CCc1ccccc1
InChI InChI=1S/C21H27NO/c23-21-11-5-8-19(16-21)13-15-22(17-20-9-4-10-20)14-12-18-6-2-1-3-7-18/h1-3,5-8,11,16,20,23H,4,9-10,12-15,17H2
InChI Key YNVKFHIWFDRVNY-UHFFFAOYSA-N
Bioactivity Comments
Whilst HS665 shows weak agonist activity at the μ opioid receptor, and the dopamine D2 and D3 receptors, it is inactive at the δ opioid receptor and D1 receptor [1].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
κ receptor Hs Agonist Full agonist 9.3 pKi - 1
pKi 9.3 (Ki 4.9x10-10 M) [1]
D3 receptor Hs Agonist Agonist 6.6 pKi - 1
pKi 6.6 (Ki 2.82x10-7 M) [1]
D2 receptor Hs Agonist Agonist 6.3 pKi - 1
pKi 6.3 (Ki 4.5x10-7 M) [1]
μ receptor Hs Agonist Agonist 6.3 pKi - 1
pKi 6.3 (Ki 5.42x10-7 M) [1]
κ receptor Hs Agonist Full agonist 8.4 pEC50 - 1
pEC50 8.4 (EC50 3.62x10-9 M) [1]
Description: Measuring stimulation of [35S]GTPγS binding.