TABLE 1

Inhibitory potencies towards six P450 isoforms, and calculated specificity indices of compounds in S64

Potencya Towards P450 IsoformSpecificityb (1 − Iinh)
2C83A42D62C91A22C19
Albendazole0.190.000.120.070.300.100.17
Amiodarone0.000.000.090.000.000.000.91
Amitriptyline0.190.120.840.000.070.640.29
Artemisinin0.110.250.040.002.080.180.56
Astemizole0.280.970.860.000.000.190.33
Atenolol0.120.000.000.000.000.000.94
Bepridil0.020.173.000.000.000.110.78
Budesonide0.521.350.210.730.070.120.22
Carbamazepine0.060.110.000.080.040.190.18
Chloroquine0.190.000.100.050.100.090.15
Chlorpheniramine0.070.000.680.000.280.000.55
Chlorthalidone0.060.000.000.030.020.180.41
Cimetidine0.470.060.290.110.221.050.21
Cisapride0.100.120.280.100.150.110.05
Clotrimazole2.103.001.132.851.902.060.02
Clozapine0.180.060.210.190.270.240.04
Cyclosporin0.001.610.110.000.000.100.76
Danazol1.760.181.661.950.281.700.12
Dexamethasone0.120.020.000.070.000.000.47
Digoxin0.100.060.000.090.050.090.12
Diltiazem0.080.000.040.000.060.040.24
Diphenhydramine0.090.040.680.030.000.060.52
Diphenylhydantoin0.090.000.000.290.000.080.49
Disulfiram2.331.590.462.031.921.350.05
Erythromycin0.000.220.000.060.000.070.49
Felbamate0.050.000.000.000.000.000.86
Fluconazole0.310.970.280.740.241.230.10
Flurbiprofen0.110.000.000.920.000.050.72
Fluvoxamine0.220.110.851.033.002.420.21
Haloperidol0.120.101.540.000.210.290.42
Indomethacin0.000.000.000.600.110.140.55
Isradipine1.301.090.161.440.551.320.08
Ivermectin0.220.140.110.170.020.120.07
Ketoconazole1.423.000.911.090.631.060.08
Ketoprofen0.120.100.030.190.110.150.06
Lansoprazole1.240.260.870.721.191.540.06
Loratadine1.530.211.550.220.003.000.29
Lovastatin0.821.470.170.120.000.100.37
Mefloquine0.110.190.830.110.120.130.23
Methoxypsoralen0.180.140.800.153.000.530.34
Naproxen0.100.000.000.020.090.000.44
Nicardipine1.812.171.482.420.121.800.08
Nifedipine0.990.000.090.173.000.170.48
Norfloxacin1.563.001.291.330.921.360.04
Omeprazole0.890.220.060.170.790.290.17
Orphenadrine0.220.090.620.000.020.070.38
Paclitaxel0.100.150.060.130.130.130.02
Paroxetine0.270.682.040.241.090.930.13
Perphenazine0.260.262.680.242.130.630.25
Pimozide0.170.140.180.110.170.100.01
Pravastatin0.000.000.000.000.000.010.54
Promethazine0.110.121.310.041.860.230.36
Propranolol0.000.741.260.051.051.050.21
Quercetin1.860.260.980.991.810.730.08
Quinapril0.090.000.000.000.000.000.91
Quinidine0.300.143.000.130.060.740.43
Ranolazine0.000.220.000.000.000.000.96
Sertraline0.260.701.480.240.851.210.10
Simvastatin1.431.680.140.170.090.110.34
Tamoxifen0.840.250.150.190.140.860.16
Terfenadine0.281.191.190.180.120.190.21
Ticlopidine0.220.000.730.170.761.600.25
Verapamil0.170.830.150.150.060.100.25
Warfarin0.150.000.021.080.030.040.64
  • a Potency is defined as (−log(IC50/100 μM)), so that a potency of 1 implies an IC50 of 10 μM and a potency of 2 implies an IC50 of 1 μM.

  • b Specificity is defined in terms of the entropy-based Iinh metric (eq. 2), so that a value of 0 implies a completely promiscuous inhibitor and a value of 1 implies complete specificity of inhibition.