compound 4 [PMID: 18163548]

Ligand id: 6545

Name: compound 4 [PMID: 18163548]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 14
Topological polar surface area 203.08
Molecular weight 477.17
XLogP 0.9
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
plasminogen activator, urokinase Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 2x10-8 M) [1]