GSK2981278   Click here for help

GtoPdb Ligand ID: 9661

Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GSK2981278 is a potent and selective inverse agonist of the nuclear receptor retinoid-related orphan receptor, RORγ [2]. It has been investigated for anti-inflammatory potential.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 84.45
Molecular weight 461.22
XLogP 4.91
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C
Isomeric SMILES OCc1cc(ccc1OCC1CCOCC1)S(=O)(=O)N(c1ccc(cc1)CC)CC(C)C
InChI InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3
Bioactivity Comments
GSK2981278 inhibits activation of the IL17 promoter in a reporter gene assay [2]. Concentrations of GSK2981278 ≥ 3nM leads to almost complete inhibition of IL-17A protein secretion.
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
RAR-related orphan receptor-γ Primary target of this compound Hs Agonist Inverse agonist 8.5 pIC50 - 2
pIC50 8.5 (IC50 3.2x10-9 M) [2]
Description: Measuring inhibition of human T cell cytokine production under Th17 skewing conditions.