Ligand id: 9007

Name: GSK180

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 66.84
Molecular weight 274.98
XLogP 1.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Bioactivity Comments
In biochemical assays GSK180 shows negligible activity against other enzymes in the tryptophan pathway, or against a panel of >50 unrelated proteins.
In vivo, GSK180 provides therapeutic protection against multiple organ dysfunction syndrome (MODS) in a rat model of acute pancreatitis [1].
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kynurenine 3-monooxygenase Inhibitor Inhibition 8.2 pIC50 - 1
pIC50 8.2 [1]
Description: Biochemical assay using human KMO expressed as a GST-fusion protein in a baculovirus expression system.