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.
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2D Structure
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Physico-chemical Properties
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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
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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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Database Links Click here for help
CAS Registry No. 1474110-21-8 (source: PubChem)
GtoPdb PubChem SID 348353620
PubChem CID 89875987
Search Google for chemical match using the InChIKey LZLBRISQTJVZNP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone LZLBRISQTJVZNP
UniChem Compound Search for chemical match using the InChIKey LZLBRISQTJVZNP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LZLBRISQTJVZNP-UHFFFAOYSA-N