example 131 [WO2009133348]

Ligand id: 8489

Name: example 131 [WO2009133348]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 100.35
Molecular weight 431.21
XLogP 2.44
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!)

Bioactivity Comments
Example 131 is inactive against other trypsin-like serine proteases (plasma kallikrein, thrombin, trypsin and plasmin) [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
kallikrein 1 Inhibitor Inhibition 9.3 pIC50 - 1
pIC50 9.3 (IC50 5.4x10-10 M) [1]