dithiipin-1,1,4,4-tetroxide analogue 7

Ligand id: 6124

Name: dithiipin-1,1,4,4-tetroxide analogue 7

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 85.04
Molecular weight 286.03
XLogP 2.99
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!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GAL1 receptor Antagonist Antagonist 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.9x10-7 M) [1]
GAL2 receptor Antagonist Antagonist <4.5 pIC50 - 1
pIC50 <4.5 (IC50 >3x10-5 M) [1]