compound 4g [PMID: 2680437]

Ligand id: 9198

Name: compound 4g [PMID: 2680437]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 73.14
Molecular weight 327.05
XLogP 3.02
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 4g shows 76% in vivo anti-inflammatory activity (5h post-carrageenan administration) and was further found to inhibit production of the pro-inflammatory mediators, NO, TNFα, IL-1β, and IL-6 substantially more than in comparison with the anti-inflammatory drug indomethacin, and the GSK-3 inhibitor SB 216763 [1]
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
glycogen synthase kinase 3 beta Hs Inhibitor Inhibition 6.7 pIC50 - 1
pIC50 6.7 (IC50 1.9x10-7 M) [1]
Description: Evaluated in a Kinase-Glo assay.