compound 6 [PMID: 10395480]

Ligand id: 8632

Name: compound 6 [PMID: 10395480]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 138.75
Molecular weight 328.21
XLogP -1
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
The enzyme tested in [1] was prepared from human lung, so is likely to contain a mixture of isozymes. We have mapped the inhibition to XPNPEP1 for data metrics purposes only.
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 6.6 pIC50 - 1
pIC50 6.6 (IC50 2.3x10-7 M) [1]