Table 1.

Selected primary correlations between karyotypic observables and small-molecule GI50 data

Karyotypic variablesFormulaDrug namePCCPGI50NSC no.
Structural heterogeneityC5H4BrNSe2-Pyridineselenenyl bromide0.640.1E−0610−4.8610578
Numerical heterogeneityC18H17N3O3Ethyl 3-(4-methoxyanilino)-2-quinoxalinecarboxylate0.630.7E−0610−4.3680551
Numerical complexityC23H18F3N3O2N-(3,4-dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)-2-quinoxalinamine0.520.2E−0310−4.7631581
Numerical heterogeneityC21H11FN2O2S3-(4-Fluorophenyl)-2-(4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl)acrylonitrile0.500.2E−0310−4.5684985
Numerical heterogeneityC30H32N2O2N-(8-(1-naphthoylamino)octyl)-1-naphthamide0.470.6E−0210−4.5629738
Numerical heterogeneityC32H44O85-(2,16-Dihydroxy-4,4,9,14-tetramethyl-3,11-dioxoestra-1,5-dien-17-yl)-5-hydroxy-1,1-dimethyl-4-oxo-2-hexenyl acetate0.450.7E−0210−7.3106399
Structural heterogeneityC32H27N5O3N-(4-methoxyphenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide0.400.3E−0210−4.5637921
Structural complexityC38H38Cl4N8O2N-(3-(8-(4-anilino-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)octyl)-5-((2,4-dichlorophenoxy)methyl)-4H-1,2,4-triazol-4-yl)-N-phenylamine0.390.5E−0210−5.0697169
Numerical complexityC37H35Cl5N2O72,3,4,5,6-Pentachlorophenyl 3-(benzyloxy)-2-((3-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)propanoyl)amino)propanoate0.350.9E−0210−4.6668884
  • NOTE: The GI50 value associated with each compound represents the log-averaged value across all 60 cell lines employed in the screen. The NSC number identifies the compound in the screening database. A more extensive tabulation of the correlation analysis is given in the supplementary documentation [available at Molecular Cancer Therapeutics Online (http://mct.aacrjournals.org)].