compound 12e [PMID: 18605714]

Ligand id: 8787

Name: compound 12e [PMID: 18605714]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 111.62
Molecular weight 430.15
XLogP 5.01
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!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
sPLA2-2D Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
sPLA2-2E Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 7x10-9 M) [1]
sPLA2-10 Inhibitor Inhibition 7.7 pIC50 - 1
pIC50 7.7 (IC50 2x10-8 M) [1]
PLA2-G5 Inhibitor Inhibition 7.5 pIC50 - 1
pIC50 7.5 (IC50 3.5x10-8 M) [1]
sPLA2-2A Inhibitor Inhibition 7.4 pIC50 - 1
pIC50 7.4 (IC50 4x10-8 M) [1]
sPLA2-2F Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5x10-8 M) [1]
sPLA2-1B Inhibitor Inhibition 7.1 pIC50 - 1
pIC50 7.1 (IC50 8.4x10-8 M) [1]