apstatin

Ligand id: 8803

Name: apstatin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 159.06
Molecular weight 459.25
XLogP 0.75
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
Apstatin shows modest selectivity for the membrane bound APP isozyme, compared to soluble APP [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
X-prolyl aminopeptidase 2 Inhibitor Inhibition 6.2 pKi - 1
pKi 6.2 (Ki 6.4x10-7 M) [1]
X-prolyl aminopeptidase 2 Inhibitor Inhibition 5.5 pIC50 - 1
pIC50 5.5 (IC50 2.9x10-6 M) [1]
X-prolyl aminopeptidase 1 Inhibitor Inhibition 4.7 pIC50 - 1
pIC50 4.7 (IC50 2.1x10-5 M) [1]