. Author manuscript; available in PMC: 2016 Oct 1.

Published in final edited form as: Bioorg Med Chem. 2015 Aug 25;23(19):6379–6388. doi: 10.1016/j.bmc.2015.08.025

Table 2.

In vitro ADME data for 3a, 3b, and 4 a–f

Compd	hERG (K_i, μM)	MDCK-mdr1 (% Transported, A to B)	Solubility (μM)		Plasma Stability (% of Parent)	S9 Stability (% of Parent)	PAMPA (% Transported)		TPSA	cLogP	LogBB
Compd	hERG (K_i, μM)	MDCK-mdr1 (% Transported, A to B)	pH 7.4	pH 3	Plasma Stability (% of Parent)	S9 Stability (% of Parent)	pH 7.4	pH 5.5	TPSA	cLogP	LogBB
JDTic	8.820	11	11	34	97	76	26.8	57.9	84.83	3.60	−0.57
3a	7.048	27	11	42	67.0	82.0	91.4	67.3	64.60	3.89	−0.23
3b	6.251	6	10	47	49.6	77.5	19.6	3	64.60	4.15	−0.19
4a	>10	<1	44	101	62.5	62.5	1	2.6	84.83	3.43	−0.59
4b	4.237	1.3							64.60	3.97	−0.21
4c	1.666								64.60	4.38	−0.15
4d	1.732								84.83	3.23	−0.63
4e	0.777								64.6	3.53	−0.28
4f	0.436								64.60	3.75	−0.25