Values of fixed parameters in monkey and rat PBPK models

pKa5.2 (acidic)In house5.2 (acidic)In house
logD7.41.3In house1.3In house
MW (g/mol)551.6In house551.6In house
KM,liver,uptake (nM)1280PMH6400PRH (Ménochet et al., 2012)
KM,liver,metabolism (nM)2.85 × 104Suspended monkey hepatocyte
kon (1/nM/h)3600Alberty and Hammes (1958)3600Alberty and Hammes (1958)
koff,plasma (h−1)2.41 × 108Supplemental Material5.88 × 107Supplemental Material
koff,RBC (h−1)7.29 × 105Supplemental Material5.00 × 106Supplemental Material
koff,liver,tissue (h−1)4.80 × 107SCHH4.80 × 107SCHH
Binding site in plasma (nM)1.47 × 106Supplemental Material1.02 × 106Supplemental Material
Binding site in RBCs (nM)1.10 × 104Supplemental Material3.35 × 104Supplemental Material
Binding site liver tissue (nM)3.82 × 105SCHH3.82 × 105SCHH
HCT0.431In house0.540In house
CLsystemic,blood,pass (l/h)41.7As described in Li et al. (2018)3.94As described in Li et al. (2018)
CLliver,blood,pass (l/h)3.89As described in Li et al. (2018)0.591As described in Li et al. (2018)
  • HCT, hematocrit; MW, molecular weight; RBC, red blood cell.