compound 28xvii [PMID: 8809154]

Ligand id: 8764

Name: compound 28xvii [PMID: 8809154]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 111.1
Molecular weight 470.18
XLogP 7.8
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
It is not entirely clear in [1], which isoform of sPLA2 was evaluated in the experiments. We have mapped the data to sPLA2-1B (PLA2G1B) as it is the first family member.
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
sPLA2-1B Hs Inhibitor Inhibition 8.9 pIC50 - 1
pIC50 8.9 (IC50 1.3x10-9 M) [1]
Description: Measured using a chromogenic assay.