. Author manuscript; available in PMC: 2013 Jul 12.

Published in final edited form as: J Med Chem. 2012 Jun 25;55(13):6047–6060. doi: 10.1021/jm300123s

Table 4.

Antitubercular activity of di-N-alkyl 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)
17o	−1.483	0.31	0.46	1.3	12	40
17p	−1.624	2.5	3.7	19	5.4	2.2
17q	−1.286	0.31	NT	NT	17	56
20q	−1.196	0.31	0.46	0.99	25	80
20r	−1.311	0.62	0.40	0.49	21	13
20s	−1.335	0.62	0.30	1.5	24	13
20t	−1.344	0.31	0.15	0.41	17	53
20u	−1.289	0.31	0.24	0.44	40	130
20v	−1.751	5.0	15	30	17	3.4
20w	−1.293	1.2	0.66	0.47	>50	>40
20x	−1.258	5.0	13	15	>50	>10