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 GtoPdb and ChEMBL (where available) across species

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) [2].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
mGlu5 receptor Rn Allosteric modulator Negative 8.1 pIC50 - 2
pIC50 8.1 (IC50 8.6x10-9 M) [2]
Description: Inhibition of agonist-induced IP accumulation.