compound II [PMID: 21329883]

Ligand id: 9579

Name: compound II [PMID: 21329883]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 95.75
Molecular weight 535.29
XLogP 2.75
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!)

Bioactivity Comments
Compound II inhibits LPS-induced transcription of IFN-β mRNA in vitro, as evaluated in primary macrophages from mouse bone marrow [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
TANK binding kinase 1 Inhibitor Inhibition 7.9 pIC50 - 1
pIC50 7.9 (IC50 1.3x10-8 M) [1]
Description: In a biochemical assay using purified recombinant enzyme.
inhibitor of nuclear factor kappa B kinase subunit epsilon Inhibitor Inhibition 7.2 pIC50 - 1
pIC50 7.2 (IC50 5.9x10-8 M) [1]
Description: In a biochemical assay using purified recombinant enzyme.