avagacestat

Ligand id: 6489

Name: avagacestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 127.77
Molecular weight 520.06
XLogP 4.43
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
Approximately 193-fold more selective toward A-beta production than Notch.
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
presenilin 1 Inhibitor Inhibition 9.5 pIC50 - 1
pIC50 9.5 (IC50 3x10-10 M) [1]