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. Author manuscript; available in PMC: 2022 Feb 18.
Published in final edited form as: J Med Chem. 2019 Feb 22;62(6):3068–3087. doi: 10.1021/acs.jmedchem.8b01960

Table 7.

GSTO1–1 Binding Assay, clog P, LLE, and Cytotoxicity of Compounds 52 and 53

Cpd Structure aGST01–1
IC50(μM)		 bcLogP cLLE dIC50-MTT (μM)
HCT116 HT29
52 graphic file with name nihms-1775229-t0058.jpg 0.0056±0.01 1.65 6.60 >30 >30
53 graphic file with name nihms-1775229-t0059.jpg 0.19±0.12 3.12 3.60 20.7; 19.3 24.4; 29.5
a

GSTO IC50 values were determined using the GSTO binding assay. Values represent the mean ± SD of at least three independent experiments.

b

clog P values were calculated using ChemBioDraw Professional 16.

c

Calculated LLE = pIC50 (M) – clog P.

d

MTT IC50 values are reported from two independent experiments.