Ligand id: 7804

Name: AZ3971

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 99.17
Molecular weight 422.19
XLogP 3.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
IC50 for expressed soluble enzyme deternined using a peptide substrate TR-FRET assay is reported in patent WO2011002409. Example 1 is the AZ4979 enatiomeric mix and example 2 is one of the isomers. IC50s for 15 example compounds are provided in this patent
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
beta-secretase 1 Hs Inhibitor Competitive 7.5 pIC50 - 1
pIC50 7.5 (IC50 3x10-8 M) [1]