semagacestat

Ligand id: 6978

Name: semagacestat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 98.74
Molecular weight 361.2
XLogP 0.72
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
Shows potent Inhibition of gamma secretase-mediated amyloid beta (1 to 40) production in vitro [2]
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
presenilin 1 Hs Inhibitor Inhibition 7.8 pIC50 - 2
pIC50 7.8 (IC50 1.5x10-8 M) [2]