TABLE 4

Physicochemical parameters and predicted and observed fold-induction values of marketed drugs

DrugsclogPPISAWPSAEASA FluorineCYP3A4 InductionCYP2B6 Induction
ObservedPredictedObservedPredicted
Aprepitant4.600152.4262.691.025262.6915.407.990.891.00
Avasimibe9.700106.50.001.1820.0019.2616.345.5727.91
Bosentan4.170339.10.291.1710.0012.6710.585.3917.23
Carbamazepine2.380325.50.000.7090.005.547.114.6910.94
Efavirenz4.670110.6165.310.78595.1511.807.379.615.07
Ethinyl estradiol0.830151.30.00−0.2850.007.141.196.061.78
Flumazenil1.290161.046.921.39546.921.222.191.679.38
Fluoxetine4.570293.7116.790.302116.794.5510.481.023.29
Fluvoxamine3.320128.9116.800.736116.804.575.272.913.59
Gatifloxacin−0.26057.433.311.27833.311.081.001.286.76
Leflunomide2.320189.1116.830.829116.831.584.554.282.25
Nafcillin3.530195.629.610.9650.003.976.851.4013.41
Nevirapine2.650224.40.000.7410.001.565.782.8311.65
Nifedipine3.120136.40.000.5530.009.095.045.6211.38
Phenobarbital1.370170.10.000.5500.001.482.501.528.01
Phenytoin2.090340.50.000.2830.005.856.867.717.73
Pioglitazone3.530236.732.300.8750.0010.647.583.3012.73
Pleconaril4.040130.2128.151.578128.155.176.595.829.31
Ranitidine0.67088.327.970.3640.001.041.001.774.26
Rosiglitazone3.020297.432.260.8670.004.817.761.2611.70
Terbinafine5.960296.00.000.6560.0012.3413.025.2717.47
Topiramate0.0400.00.310.6510.002.551.001.796.08
Troglitazone5.590153.432.300.8960.0019.859.797.9016.81
  • When the predicted fold-induction values were under 1, they were represented as 1. Each observed fold-induction value from one experiment is shown.

  • The abbreviations for the physicochemical parameters are shown in Table 2.