example 41 [WO2012028563]

Ligand id: 7855

Name: example 41 [WO2012028563]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 177.79
Molecular weight 759.24
XLogP 7.56
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 10.0 pIC50 - 1
pIC50 10.0 (IC50 1x10-10 M) [1]