TUG-1197   Click here for help

GtoPdb Ligand ID: 11195

Synonyms: compound 34 [PMID: 27570890] | TUG1197
Compound class: Synthetic organic
Comment: TUG-1197 is a selective agonist of free fatty acid receptor 4 (FFAR4) [1-2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 67.88
Molecular weight 356.06
XLogP 4.2
No. Lipinski's rules broken 0
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Canonical SMILES Fc1cc(Oc2ccccn2)cc(c1)N1Cc2c(S1(=O)=O)cccc2
Isomeric SMILES Fc1cc(Oc2ccccn2)cc(c1)N1Cc2c(S1(=O)=O)cccc2
InChI InChI=1S/C18H13FN2O3S/c19-14-9-15(11-16(10-14)24-18-7-3-4-8-20-18)21-12-13-5-1-2-6-17(13)25(21,22)23/h1-11H,12H2
1. Azevedo CM, Watterson KR, Wargent ET, Hansen SV, Hudson BD, Kępczyńska MA, Dunlop J, Shimpukade B, Christiansen E, Milligan G et al.. (2016)
Non-Acidic Free Fatty Acid Receptor 4 Agonists with Antidiabetic Activity.
J Med Chem, 59 (19): 8868-8878. [PMID:27570890]
2. Watterson KR, Hansen SVF, Hudson BD, Alvarez-Curto E, Raihan SZ, Azevedo CMG, Martin G, Dunlop J, Yarwood SJ, Ulven T et al.. (2017)
Probe-Dependent Negative Allosteric Modulators of the Long-Chain Free Fatty Acid Receptor FFA4.
Mol Pharmacol, 91 (6): 630-641. [PMID:28385906]