apstatin

Ligand id: 8803

Name: apstatin

Structure and Physico-chemical Properties

2D Structure
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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 -1.07
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
Apstatin shows modest selectivity for the membrane bound APP isozyme, compared to soluble APP [1].
Selectivity at enzymes
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Target Sp. Type Action Value Parameter 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]