Ligand id: 8543

Name: alloswitch-1

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 75.94
Molecular weight 366.09
XLogP 5.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Bioactivity Comments
The IC50 for antagonism of quisqualate-induced IP accumulation in dark conditions (trans-alloswitch-1) is 8.6nM, compared to 16nM under violet light exposure (cis-alloswitch-1) [1].
Selectivity at Rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
mGlu5 receptor Allosteric modulator Negative 8.1 pIC50 - 1
pIC50 8.1 (IC50 8.6x10-9 M) [1]
Description: Inhibition of agonist-induced IP accumulation.