Ligand id: 9719

Name: BI-1950

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 133.01
Molecular weight 645.15
XLogP 4.35
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
BI-1950 demonstrates >250-fold selectivity for human over mouse LFA-1, and is >1000 fold selective for LFA-1 compared to the most closely related β2-integrin Mac-1 (ITGB2) [1].
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
integrin, alpha L subunit (antigen CD11A (p180), lymphocyte function-associated antigen 1; alpha polypeptide) Hs Inhibitor Binding 8.1 pKd - 1
pKd 8.1 (Kd 9x10-9 M) [1]
Description: Inhibition of LFA-1 binding to ICAM-1 in vitro.