compound 39 [PMID: 23623673]

Ligand id: 8875

Name: compound 39 [PMID: 23623673]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.78
Molecular weight 389.07
XLogP 7.5
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

Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
mPGES1 Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 4.1x10-9 M) [1]
Leukotriene C4 synthase Hs Inhibitor Inhibition <5.5 pIC50 - 1
pIC50 <5.5 (IC50 >3x10-6 M) [1]