ACT-462206

Ligand id: 9303

Name: ACT-462206

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 84.09
Molecular weight 388.15
XLogP 4.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
The R enantiomer of this compound is >1000-fold less potent that the active S enantiomer [1].
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
OX2 receptor Antagonist Antagonist 8.0 pIC50 - 1
pIC50 8.0 (IC50 1.1x10-8 M) [1]
OX1 receptor Antagonist Antagonist 7.2 pIC50 - 1
pIC50 7.2 (IC50 6x10-8 M) [1]