Ligand id: 7533

Name: lifitegrast

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 142.37
Molecular weight 614.07
XLogP 4.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

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

Bioactivity Comments
No specific binding data are provided in [9] to substantiate the lifitegrast/LFA-1 interaction. Target engagement is inferred from biological assays showing inhibition of T cell adhesion and inhibition of inflammatory mediator secretion. In in vitro assays, lifitegrast inhibits Jurkat T cell and HuT 78 T cell adhesion to immobilised ICAM-Ig with IC50s of 2.98nM and 9nM respectively [9].
Lifitegrast was designed to have minimal systemic exposure, to limit action at sites other than at the site of administration [7].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide) Hs Antagonist Inhibition - - - 2,9