Table 1.
Chemical | log Kowa | Substrate conc. (μΜ) | CLin vitro, int,hep (mL/h/106 cells) | CLin vivo,int,hep (mL/h/g liver) | CLin vivo, int,s9 (mL/h/g liver)b |
---|---|---|---|---|---|
Naphthalene | 3.30 | 2.7 ± 0.2 | 0.018 ± 0.009 | 9.4 ± 4.6 | 22.4 ± 2.5 |
Fluorene | 4.18 | 0.93 ± 0.18 | 0.30 ± 0.11 | 151 ± 55 | 58.1 ± 2.3 |
Anthracene | 4.45 | 0.14 ± 0.01 | 0.32 ± 0.10 | 162 ± 51 | 80.5 ± 5.8 |
Phenanthrene | 4.47 | 1.5 ± 0.2 | 0.21 ± 0.04 | 109 ± 20 | 94.0 ± 2.7 |
Pyrene | 4.88 | 0.25 ± 0.02 | 3.1 ± 1.0 | 1580± 500 | 1610 ± 160 |
Benzo[a]pyrene | 6.13 | 0.16 ± 0.01 | 0.54 ± 0.10 | 273 ± 52 | 2660 ± 250 |
Kow = log10 octanol-water partition coefficient; CLin vitro, int,hep = in vitro intrinsic clearance measured using hepatocytes; CLin vivo,int,hep = in vivo intrinsic clearance calculated using data from hepatocytes; CLin vivo, int,s9 = in vivo intrinsic clearance calculated using data from liver S9 fractions; all data reported as mean ± SD
log Kow values are based on MLogP estimates (with preference given to measured values) in Bio-Loom for Windows
Data provided in Nichols et al. [19]