TABLE 4

Prediction of rat hepatocyte binding data from Naritomi et al. ( 2003 ) using eq. 14

Compound
Charge Type
Log P
Log D7.4
fuobserved
fupredicted a
cells/ml
Diltiazem Base 2.80b 0.53 (0.5 × 106) 0.78
Quinotolast Acid 0.67 0.94 (0.5 × 106) 0.96
Troglitazone Acid 4.60 0.22 (0.5 × 106) 0.41
Zidovudine Neutral 0.05b 1.00 (2 × 106) 0.92
Acetaminophen
Neutral
0.51b
0.93 (1 × 106)
0.94

  • ↵ a Where the cell density from Naritomi et al. (2003) differs from 1 × 106 cells/ml, eq. 14 was used to predict fu at 1 × 106 cells/ml, followed by a correction to the appropriate cell density using eq. 9 from Austin et al. (2002).

  • ↵ b Data from Medchem Database (Daylight Chemical Information Systems, Inc., Mission Viejo, CA).