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[Preprint]. 2023 Jan 27:2023.01.26.525573. [Version 1] doi: 10.1101/2023.01.26.525573

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Fig. 2 — a, Structures of 3,5-dimethyl-N-arylpyrazole structures synthesized for SAR studies. b-f, Dose-dependent activation of NOD2-expressing HEK-293T cells using the indicated compounds grouped by similar structural perturbations. Numbers in parentheses represent calculated pEC50 values. g, Graph of calculated pEC50 values vs. calculated partition coefficient (clogP). Dotted lines show equivalent lipophilic ligand efficiency (LLE) values. Red arrow indicates optimization of the TT007 scaffold to TT030. pEC50 values were derived by a three-parameter dose-response nonlinear regression.