compound J [PMID: 21907142]

Ligand id: 7854

Name: compound J [PMID: 21907142]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 105.67
Molecular weight 378.07
XLogP 3.21
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
The inhibitor data in the table above is derived from [2] where the associated chemical structure is compound J.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
beta-site APP-cleaving enzyme 2 Inhibitor Inhibition 8.2 pIC50 - 2
pIC50 8.2 (IC50 6x10-9 M) [2]
beta-secretase 1 Inhibitor Inhibition 7.7 pIC50 - 2
pIC50 7.7 (IC50 1.8x10-8 M) [2]