compound 2 [PMID: 22911925]

Ligand id: 6950

Name: compound 2 [PMID: 22911925]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 133.84
Molecular weight 592.31
XLogP 6.41
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Bioactivity Comments
Compounds tested against human recombinant BACE1 in a Fluorescence Resonance Energy Transfer format.[2]
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 8.3 pIC50 - 2
pIC50 8.3 (IC50 5.5x10-9 M) [2]