Table 3.

Antitubercular activity of ring-substituted BTOs.

Compound	LUMO (eV)	TB MIC – SRI (μg/mL)	TB MIC – ITR (μg/mL)	LORA MIC – ITR (μg/mL)	Vero Tox CC50 (μg/mL)	SI (CC50/MIC)
15aa	−1.704	0.62	0.35	0.75	4.6	7.3
15ab	−1.918	0.31	0.93	3.5	1.3	2.2
15ad	−1.857	0.31	0.40	0.88	1.6	10
15ae	−1.820	0.31	0.33	0.34	2.3	7.3
15af	−1.696	0.62	0.68	0.47	<2.5	<4.0
15ai	−1.716	5.0	2.0	1.9	6.3	1.3
15am	−1.808	0.31	<0.12	0.21	<2.5	<4.0
15ba	−1.666	1.2	<0.12	0.41	2.6	2.1
15bb	−1.870	0.62	0.21	0.22	1.3	2.2
15bd	−1.812	0.15	<0.12	<0.12	1.6	10
15bf	−1.655	0.62	0.94	0.63	2.6	4.2
15bi	−1.675	1.2	1.4	0.78	2.6	2.1
15bm	−1.759	0.15	0.22	0.23	1.1	7.3
15ca	−1.652	0.62	0.49	0.46	4.2	6.7
15cd	−1.793	0.15	0.46	0.41	3.8	24
15ce	−1.757	0.15	0.35	0.46	18	110
15cm	−1.749	0.31	0.36	0.41	0.80	2.6
15da	−1.541	2.5	15	16	16	6.3
15dd	−1.66	0.62	0.96	0.90	9.8	16
15dm	−1.629	0.62	0.97	1.6	>50	>80
15ea	−1.409	0.62	0.51	0.48	22	36
15ed	−1.567	0.31	0.47	0.43	22	70
15ee	−1.524	0.31	0.43	0.27	3.7	12
15fa	−1.254	1.2	0.95	0.83	36	29
15fd	−1.352	0.62	0.96	0.44	34	54
15fm	−1.244	1.2	0.93	0.36	>50	>41
15ga	−1.195	2.5	3.5	2.5	>100	>40
15gd	−1.324	2.5	5.1	2.9	>50	>20
15gm	−1.284	5.0	5.6	3.5	>50	>10