TABLE 2

Predicted and experimentally determined fuinc values at C = 0.1 and 1.0 mg/ml for 35 compounds investigated logP/D data represent either logD7.4 (for acidic and neutral compounds) or logP for bases. Data in the Observed columns represent a mean of three replicates.



LogP/D

fuinc at 0.1 mg/ml

fuinc at 1.0 mg/ml

Observed
Hallifax Equation
Austin Equation
Observed
Hallifax Equation
Austin Equation
Buprenorphine 4.98 0.47 0.50 0.30 0.10 0.09 0.04
Buspirone 2.63 0.94 0.97 0.90 0.85 0.74 0.46
Carvedilol 4.19 0.58 0.79 0.54 0.10 0.28 0.10
Codeine 1.19 1.00 0.99 0.98 0.96 0.90 0.85
Desipramine 4.90 0.65 0.54 0.32 0.21 0.11 0.04
Dextromethorphana 4.19 0.84 0.79 0.54 0.72 0.28 0.10
Diclofenac 1.26 1.00 0.99 0.98 0.87 0.89 0.84
Emodina 2.84 0.46 0.96 0.87 0.19 0.69 0.40
Felodipine 3.86 0.40 0.86 0.64 0.06 0.38 0.15
Gemfibrozil 1.80 0.97 0.98 0.96 0.77 0.86 0.72
Imipramine 4.80 0.91 0.58 0.35 0.45 0.12 0.05
Indinavira 2.12 1.00 0.98 0.94 0.88 0.82 0.63
Levallorphan 3.48 0.92 0.91 0.74 0.84 0.51 0.22
Mibefradila 6.23 0.34 0.075 0.077 0.03 0.008 0.008
Midazolam 3.80 0.97 0.87 0.66 0.54 0.40 0.16
Mycophenolic acida 0.94 0.95 0.99 0.99 0.79 0.91 0.89
Naloxon 2.09 0.87 0.98 0.95 0.87 0.82 0.64
Nifedipine 2.20 0.98 0.98 0.94 0.70 0.81 0.60
Oxazepam 2.24 0.83 0.98 0.94 0.72 0.81 0.59
Quinidine 3.44 0.86 0.92 0.75 0.56 0.53 0.23
Raloxifenea 5.26 0.51 0.38 0.23 0.08 0.06 0.03
Repaglinidea 1.76 0.96 0.98 0.96 0.73 0.86 0.73
Ritonavira 5.79 0.87b 0.18 0.13 0.38 0.02 0.02
Rosiglitazonea 2.62 0.93 0.97 0.90 0.72 0.74 0.47
Saquinavira 3.09 0.59 0.94 0.83 0.10 0.63 0.32
Simvastatin 4.68 0.39 0.63 0.38 0.06 0.15 0.06
Tacrolimusa 2.97 0.71b 0.95 0.85 0.18 0.66 0.36
Tamoxifena 6.44 0.06 0.049 0.060 0.01 0.005 0.006
Terfenadinea 6.60 0.04 0.034 0.049 0.02 0.003 0.005
Triazolam 2.42 1.00 0.97 0.92 0.84 0.78 0.53
Troglitazonea 5.02 0.52 0.49 0.29 0.07 0.09 0.04
Verapamil 3.79 0.83 0.87 0.66 0.47 0.41 0.16
Warfarin 0.28 0.99 0.99 0.99 0.99 0.93 0.95
Zidovudine 0.05 0.75 0.99 1.00 0.60 0.93 0.96
α-Naphthoflavonea
4.65
0.20
0.64
0.39
0.07
0.15
0.06
  • a logP values were predicted using the mean of Syracuse Research Corporation, ACD, and Interactive software packages

  • b Obtained using average Ka value due to variability of data