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
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
FFA4 receptor Mm Agonist Agonist 6.8 pEC50 - 1
pEC50 6.8 (EC50 1.48x10-7 M) [1]
Description: Determined in a Ca2+ mobilization assay.
FFA4 receptor Hs Agonist Agonist 6.6 pEC50 - 1
pEC50 6.6 (EC50 2.34x10-7 M) [1]
Description: Determined in a Ca2+ mobilization assay.