compound 7 [WO2012007375]

Ligand id: 8085

Name: compound 7 [WO2012007375]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 134.5
Molecular weight 408.14
XLogP 1.46
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
This compound has off-target activity at IRAK1, with IC50 983nM [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
interleukin 1 receptor associated kinase 4 Inhibitor Inhibition 8.1 pIC50 - 1
pIC50 8.1 (IC50 8x10-9 M) [1]
interleukin 1 receptor associated kinase 1 Inhibitor Inhibition 6.0 pIC50 - 1
pIC50 6.0 (IC50 9.83x10-7 M) [1]