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 GtoPdb and ChEMBL (where available) across species

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