. Author manuscript; available in PMC: 2020 Jul 12.

Published in final edited form as: ACS Infect Dis. 2019 May 14;5(7):1139–1149. doi: 10.1021/acsinfecdis.9b00010

Table 3.

ADME profile of BNBC and its analogs

Cmpd^*	Aqueous solubility (μM)		Metabolic stability T_1/2 (min)		Caco-2			Cyp^#	PPB (%)
Cmpd^*	PH = 4	PH =7.4	Human	Mouse	P_{app (A-B)} (10⁻⁶, cm/s)	P_{app (B-A)} (10⁻⁶, cm/s)	Efflux Ratio	IC₅₀ < 10 μM	Human	Mouse
BNBC	3.57	2.62	19.96	2.21	14.46	5.98	0.41	5/10	97.34	97.88
57093Z	0.28	0.26	9.50	2.70	ND	ND	ND	2/10	ND	ND
57071Z	4.14	3.94	15.39	1.81	ND	ND	ND	5/10	ND	ND

compound.

Cyps inhibited by BNBC are 1A2, 2C19, 2D6, 3A4 (Midazolam) and 3A4 (Testosterone); Cyps inhibited by 57093Z are 1A2 and 2C19; Cyps inhibited by 57071Z are 1A2, 2B6, 2C19, 3A4 (Midazolam) and 3A4 (Testosterone);