AZ-4217

Ligand id: 6939

Name: AZ-4217

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 71.58
Molecular weight 476.2
XLogP 6.08
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
One of the most potent BACE1 inhibitors with animal data. See table 1 in [1] for IC50s in cell release assay and BACE2 cross-reactivity.
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 8.7 pKi - 1
pKi 8.7 (Ki 1.8x10-9 M) [1]