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

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

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.