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. Author manuscript; available in PMC: 2022 Feb 21.

Published in final edited form as: J Med Chem. 2018 May 14;61(12):5162–5186. doi: 10.1021/acs.jmedchem.7b01862

Table 5.

Biological Activity of R₁/R₂ Substituted Quinolines^a


			DHODH Assay			MTT Assay
#	R₁	R₂	IC₅₀ (μM)	cLogP	LipE	HCT-116 IC₅₀ (μM)	MIA PaCa-2 IC₅₀ (μM)

37		F	0.0794 ± 0.044	4.45	2.65	5.71 ± 1.1	23.6 ± 28
38		Cl	0.165 ± 0.035	5.02	1.76	5.43 ± 2.1	14.7 ± 6.9
39		Me	0.0542 ± 0.012	5.12	2.15	11.1 ± 0.38	8.29 ± 3.1
40		F	3.31 ± 0.17	4.95	0.53	33.7 ± 0.41	33.8 ± 13
41		F	0.00971 ± 0.0014	4.76	3.25	3.02 ± 0.35	7.18 ± 2.3
42		Cl	0.0360 ± 0.0058	5.34	2.10	4.36 ± 0.94	4.73 ± 2.8
43		F	0.0262 ± 0.0018	5.27	2.31	1.98 ± 1.3	6.57 ± 5.0
44		Cl	0.0744 ± 0.028	5.84	1.29	2.71 ± 1.3	7.56 ± 4.3

^a

Data for cLogP values was predicted using ChemBioDraw Professional 16. Lipophilic ligand efficiency (LipE) calculated LipE = −pIC₅₀ (M) – cLogP.³³