. 2023 Mar 7;24(6):5088. doi: 10.3390/ijms24065088

Table 7.

Toxicity profiling of different aniline substitutions of 4-anilinoquinolines (81–100) based on the scaffold of analog 72 ^a,b,c.


Name	R¹	R²	R³	R⁴	CM	CMI	ROS	GSH	NMI1	CC	NMI2	MMP	CHI
Erlotinib	-				0.77	0.50	0.13	0.63	0.10	0.10	0.062	0.12	0.40
72	H	OMe	OMe	OMe	0.89	0.78	0.063	0.096	0.24	0.50	0.064	0.078	0.37
81	H	F	F	F	0.059	0.16	0.84	0.036	0.31	0.053	0.087	0.056	0.25
82	H	H	F	H	0.096	0.058	0.85	0.062	0.69	0.082	0.063	0.15	0.29
83	H	F	H	H	0.00033	0.60	0.19	0.21	0.78	0.37	0.003	0.004	0.21
84	F	H	H	H	1.00	1.00	0.98	0.99	0.61	0.98	0.86	0.99	0.78
85	H	F	Cl	H	1.00	1.00	1.00	0.99	0.98	0.98	0.94	0.97	0.80
86	H	F	H	Cl	0.79	0.94	0.47	0.88	0.87	0.74	0.16	0.64	0.51
87	H	Cl	Cl	H	0.98	1.00	1.00	0.99	0.99	0.96	0.84	0.98	0.73
88	H	H	Cl	H	1.00	1.00	1.00	1.00	0.86	0.99	0.94	0.99	0.85
89	H	Cl	H	H	0.0070	0.89	0.066	0.46	0.85	0.084	0.0051	0.028	0.27
90	Cl	H	H	H	1.00	1.00	1.00	0.99	0.92	0.99	0.93	0.94	0.81
91	H	H	Br	H	0.99	1.00	1.00	1.00	0.98	0.96	0.91	0.99	0.75
92	H	Br	H	H	0.47	0.98	0.93	0.94	0.80	0.19	0.068	0.082	0.36
93	Br	H	H	H	1.00	1.00	1.00	1.00	0.60	0.97	0.95	0.96	0.75
94	H	I	H	H	0.95	0.99	0.97	0.97	0.90	0.89	0.26	0.83	0.62
95	H	H	CN	H	0.047	0.92	0.10	0.15	0.64	0.077	0.0064	0.072	0.29
96	H	CN	H	H	0.0066	0.50	0.37	0.34	0.65	0.056	0.0051	0.042	0.23
97	CN	H	H	H	0.27	0.68	0.63	0.23	0.55	0.47	0.017	0.051	0.33
98	H	CF₃	H	H	1.00	1.00	1.00	0.99	0.95	0.99	0.91	0.98	0.81
99	H	C≡C	H	H	0.97	0.97	0.82	0.95	0.47	0.89	0.92	0.99	0.70
100	H	H	CH₂SO₂CH₃	H	0.019	0.32	0.024	0.027	0.34	0.077	0.048	0.014	0.24

^a Abbreviations from columns left to right. CM: Cell morphology; CMI: Cell membrane integrity; ROS: Reactive oxygen species; GSH: Glutathione; NMI1: Nuclear membrane integrity 1; CC: Cell Cycle; NMI2: Nuclear membrane integrity 2; MMP: Mitochondrial membrane potential; CHI: Cell Health Index. ^b Traffic light colouring matching classifier values (Red–Green: high toxicity risk–low toxicity risk). ^c all n = 2.