compound 8 [PMID: 21692504]

Ligand id: 8491

Name: compound 8 [PMID: 21692504]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.89
Molecular weight 216.13
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 8 showed <20% inhibition of the related enzyme, prolyl endopeptidase (PEP) [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
prolyl endopeptidase like Mm Inhibitor Inhibition 5.2 pIC50 - 1
pIC50 5.2 (IC50 6x10-6 M) [1]
Description: In a substrate free assay.