compound 9 [PMID: 3514912]

Ligand id: 8559

Name: compound 9 [PMID: 3514912]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 90.7
Molecular weight 269.12
XLogP 4.08
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
Compound 9 also inhibits protease, serine, 1 (trypsin 1) (PRSSI) [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
acrosin Inhibitor Inhibition 8.5 pIC50 - 1
pIC50 8.5 (IC50 3.3x10-9 M) [1]
protease, serine 1 Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 1.95x10-8 M) [1]