gabexate

Ligand id: 7863

Name: gabexate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 117
Molecular weight 321.17
XLogP 2.4
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
A range of inhibition values for human serine proteases have been reported but potency seems to be highest against tryptase
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
tryptase alpha/beta 1 Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3.4x10-9 M) [1]