N-in-1 dosing pharmacokinetics in drug discovery: experience, theoretical and practical considerations

J Pharm Sci. 2008 Jul;97(7):2568-80. doi: 10.1002/jps.21196.

Abstract

N-in-1 (or cassette) dosing pharmacokinetics (PK) has been used in drug discovery for rapid assessment of PK properties of new chemical entities. However, because of potential for drug-drug interactions this procedure is still controversial. This study was to retrospectively evaluate the N-in-1 dosing approach in drug discovery with an emphasis on the potential for drug-drug interactions. The systemic clearance, volume of distribution, oral bioavailability, and renal excretion of the 31 lead compounds in rats, dogs or chimpanzees were significantly correlated between the N-in-1 dosing and discrete studies with r values of 0.69, 0.91, 0.53, and 0.83 (p < 0.005 for all), respectively. PK parameters for 11 quality control compounds which were involved in 194 N-in-1 studies for screening approximately 1000 compounds had coefficient of variations of less than 70%. The intrinsic microsomal clearances generated from the N-in-1 and discrete incubations were nearly identical (r = 0.97, p < 0.0001). The intrinsic clearances of quality control compound from the N-in-1 incubations were consistent with its discrete CL(int) estimate (cv: 5.4%). Therefore, N-in-1 dosing is a useful approach in drug discovery to quickly obtain initial PK estimates. Potential drug-drug interactions that result in confounding PK estimates do not occur as frequently as expected.

MeSH terms

  • Animals
  • Biological Availability
  • Cytochrome P-450 CYP3A
  • Cytochrome P-450 CYP3A Inhibitors*
  • Dogs
  • Drug Design*
  • Drug Evaluation, Preclinical / methods*
  • Drug Interactions
  • Humans
  • In Vitro Techniques
  • Male
  • Metabolic Clearance Rate
  • Microsomes, Liver* / drug effects
  • Microsomes, Liver* / enzymology
  • Models, Biological
  • Pan troglodytes
  • Pharmaceutical Preparations / administration & dosage*
  • Pharmacokinetics*
  • Rats

Substances

  • Cytochrome P-450 CYP3A Inhibitors
  • Pharmaceutical Preparations
  • Cytochrome P-450 CYP3A
  • CYP3A4 protein, human