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 ChEMBL and GtoPdb across species (New!)

Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
beta-site APP-cleaving enzyme 2 Inhibitor Inhibition 10.5 pKi - 1
pKi 10.5 (Ki 3.1x10-11 M) [1]