Ligand id: 9005

Name: AR-M1000390

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 348.22
XLogP 6.58
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Additional binding affinity data for this compound is reported in patent WO2006124687 A1 [1].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
δ receptor Hs Agonist Agonist 7.0 pKi - 2
pKi 7.0 (Ki 1.06x10-7 M) [2]
δ receptor Hs Agonist Agonist 9.1 pIC50 - 1
pIC50 9.1 (IC50 8.9x10-10 M) [1]
μ receptor Hs Agonist Agonist 5.4 pIC50 - 1
pIC50 5.4 (IC50 3.8x10-6 M) [1]
κ receptor Hs Agonist Agonist 5.1 pIC50 - 1
pIC50 5.1 (IC50 7.47x10-6 M) [1]