AZD3839

Ligand id: 6931

Name: AZD3839

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 76.72
Molecular weight 433.15
XLogP 5.16
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
AZD3839 inhibited Aβ and sAPPβ release from modified and wild-type human SH-SY5Y cells, mouse N2A cells, mouse and guinea pig primary cortical neurons. Selectivity against BACE2 and cathepsin D was 14 and >1000-fold, respectively. Dose- and time-dependent lowering of plasma, brain, and cerebrospinal fluid Aβ levels in mouse, guinea pig, and a non-human primate were demonstrated. Inhibited BACE1 activity in a biochemical fluorescence resonance energy transfer (FRET) assay. [1]
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
beta-secretase 1 Inhibitor Competitive 7.6 pKi - 1
pKi 7.6 (Ki 2.61x10-8 M) [1]