compound 1 [WO2012007375]

Ligand id: 8084

Name: compound 1 [WO2012007375]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 108.78
Molecular weight 400.14
XLogP 0.75
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 55nM [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 9.0 pIC50 - 1
pIC50 9.0 (IC50 1x10-9 M) [1]
interleukin 1 receptor associated kinase 1 Inhibitor Inhibition 7.3 pIC50 - 1
pIC50 7.3 (IC50 5.5x10-8 M) [1]