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. Author manuscript; available in PMC: 2022 Nov 1.
Published in final edited form as: Toxicology. 2021 Sep 17;463:152954. doi: 10.1016/j.tox.2021.152954

Table 1.

Selected properties of tested chemicals

Name Structure CAS# cLogP Fub,
plasma* 		Fub,
media†
 Hepatocyte metabolism Literature oral
clearance* 		Intrinsic hepatic
clearance‡
Caffeine graphic file with name nihms-1741218-t0004.jpg 58-08-2 −0.54 0.51-1.0 1.0 CYPA2, xanthine oxidase, or N-acetyltransferase 2 8.7 L/hr 16.1 L/hr
Pioglitazone graphic file with name nihms-1741218-t0005.jpg 111025-46-8 0.425 0.008-0.04 0.19-0.34 CYP2C8, CYP3A4, and conjugation with sulfate or glucuronic acid 2.5 L/hr 66.0 L/hr
Rosiglitazone graphic file with name nihms-1741218-t0006.jpg 122320-73-4 0.461 0.0016-0.036 0.14-0.18 CYP2C8, CYP2C9, N-demethylation, and conjugation with sulfate or glucuronic acid 2.85 L/hr 746 L/hr
Troglitazone graphic file with name nihms-1741218-t0007.jpg 97322-87-7 1.941 0.0009-0.017 0.03-0.05 CYP3A4, and conjugation with sulfate or glucuronic acid 36.8 L/hr 3830 L/hr
Terfenadine graphic file with name nihms-1741218-t0008.jpg 50679-08-8 5.206 0.003-0.022 0.46-1.0 CYP3A4, CYP2D6 4390 L/hr 15500 L/hr
Tolcapone graphic file with name nihms-1741218-t0009.jpg 134308-13-7 3.367 <0.001-0.029 0.04-0.11 Conjugation with glucuronic acid 6.64 L/hr 4730 L/hr
Trovafloxacin graphic file with name nihms-1741218-t0010.jpg 147059-72-1 0.96 0.188-0.37 0.93-1.0 N-Acetylation, and conjugation with glucuronic acid 8.28 L/hr 38.2 L/hr
*

Representative range of literature-reported values (see Methods).

†

Range of values for primary vs. iPSC hepatocyte media

‡

As described in Methods, converted from oral clearance adjusting for free fraction under a parallel tube model; also adjusted for incomplete absorption (pioglitazone) or renal clearance (trovafloxacin).