compound 3 [PMID: 27347366]

Ligand id: 9337

Name: compound 3 [PMID: 27347366]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 20
Topological polar surface area 131
Molecular weight 630.38
XLogP 8.27
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

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 2 Hs Inhibitor Inhibition 10.5 pKi - 1
pKi 10.5 (Ki 3.1x10-11 M) [1]