compound 26 [PMID: 26267383]

Ligand id: 9305

Name: compound 26 [PMID: 26267383]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 125.22
Molecular weight 586.22
XLogP 6.85
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Bioactivity Comments
Compound 26 is approximately 70-fold selective for OX2 over OX1 [1].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
OX2 receptor Hs Agonist Agonist 7.6 pEC50 - 1
pEC50 7.6 (EC50 2.3x10-8 M) [1]
OX1 receptor Hs Agonist Agonist 5.8 pEC50 - 1
pEC50 5.8 (EC50 1.616x10-6 M) [1]
Ligand mentioned in the following text fields