. Author manuscript; available in PMC: 2020 Jul 22.

Published in final edited form as: J Med Chem. 2017 Jul 18;60(14):6273–6288. doi: 10.1021/acs.jmedchem.7b00584

Table 3.

In Vitro ADMET Data for Compound (+)-19

Assay		(+)-19
PPB at 10 μM (%)	human	82.0
	mouse	92.0
CYP inhibition at 10 μM (%)^a	1A2	20.5
	2C9	9.3
	2D6	68.9
	3A4	85.6
T1/2 (min)^b	human	43.0
T1/2 (min)^b	mouse	7.8
hERG IC₅₀ (μM)^c		1.4

The CYP inhibition test was performed using human liver microsomes. Phenacetin, tolbutamide, dextromethorphan, and midazolam were used as test substrates for the 1A2, 2C9, 2D6, and 3A4 isoforms, respectively.

The concentration of hepatocytes was 0.5 × 106 cells/mL, and (+)-19 was tested at 1 μM.

hERG inhibition was tested on CHO cells using the automated patch-clamp method.