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. Author manuscript; available in PMC: 2020 Jun 27.

Published in final edited form as: J Med Chem. 2019 Jun 12;62(12):5810–5831. doi: 10.1021/acs.jmedchem.9b00136

Table 2.

SAR at position 5 of the 7-aza-indole scaffold

graphic file with name nihms-1055475-t0021.jpg

		AAK1 enzymatic data		DENV antiviral activity		Cytotoxicity
Cmpd#	R₅	AAK1 Kd (μM) (DiscoverX)	AAK1 IC₅₀ (μM) LanthaScreen	EC₅₀ (μM)	EC₉₀ (μM)	CC₅₀ (μM)
1	4-cyanophenyl	0.120	ND^a	8.37	46.8	703
8a	phenyl	0.0822	ND^a	5.29	87.1	NE^a
8b	4-F-phenyl	0.141	ND^a	6.43	25.2	NE^a
8c	4-CF₃-phenyl	ND^a	0.23	2.94	12.0	57.0
8d	4-OCH₃-phenyl	0.0194	ND^a	4.39	25.8	NE^a
8e	4-Me-phenyl	0.0532	ND^a	2.60	33.6	129
8f	3-Me-phenyl	ND^a	0.0186	4.86	10.8	16.0
8g	3,4-di-OCH₃-phenyl	0.00673	0.00432	1.64	7.46	39.7
8h	3-thienyl	0.0161	ND^a	3.01	66.8	NE^a
Sunitinib	-	0.0110	0.0474	1.35	2.71	246

^a

NE : No effect (no apparent effect on cellular viability up to a concentration of 10 μM).