QSAR-based rational discovery of novel substituted-4′-iminospiro[indoline-3,3′-[1,2,5]thiadiazolidinyl]-2-one 1′,1′-dioxide with potent in vitro anticancer activity

Table 1 5-Substituted -cyano(2-oxo-2,3-dihydroindol-3-yl)acetic acid (scaffold A) derivatives with potent AR inhibitory activities

Compound	X	R	IC₅₀ μM	pIC₅₀
I	H	H	0.85	6.070
II	F	H	0.28	6.552
III	Br	H	0.38	6.420
IV	NO₂	H	1.2	5.920
V	H	CH₂-C₆H₅	3.2	5.494
VI	H	CH₂-C₆H₄-P-F	0.57	6.244
VII	H	CH₂-C₆H₄-P-CF₃	0.57	6.244
VIII	H	CH₂-C₆H₄-P-CH₃	0.64	6.193
IX	H	CH₂-C₆H₄-P-OCH₃	0.63	6.200
X	F	CH₃	0.39	6.408
XI	F	CH₂-CH₂-Cl	1.34	5.872
XII	F	CH₂-CH₂-CH₃	0.28	6.552
XIII	F	CH₂-C₆H₅	0.18	6.744
XIV	F	CH₂-C₆H₄-P-F	0.13	6.886
XV	F	CH₂-C₆H₄-P-CF₃	0.28	6.552
XVI	F	CH₂-C₆H₄-P-CH₃	0.075	7.124
XVII	F	CH₂-C₆H₄-P-OCH₃	0.11	6.958
XVIII	Br	CH₂-C₆H₄-P-CH₃	0.25	6.602
Sorbinil			0.50	6.301
Fidarestat			0.15	6.823

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