Table 1.
Name | k12 | k21 | kel | Log P | pKa | fu | References |
---|---|---|---|---|---|---|---|
1. N-Acetylprocainamide | 0.983 | 0.971 | 0.9 | 1.29 | 9.3 | 0.9 | 30,a–c |
2. Ampicillin | 0.4 | 0.73 | 1.71 | 0.4 | 2.6, 7.2 | 0.85 | 30,d–f |
3. Benzylpenicillin | 0.93 | 1.44 | 2.59 | 1.5 | 2.74 | 0.57 | e,g,h |
4. Carboplatin | 0.011 | 0.018 | 0.015 | −1.8 | 6.5 | 1 | 26, 30,i,j |
5. Cefazolin | 1.96 | 2.15 | 1.3 | 0.97 | 2.1 | 0.18 | 30,k–m |
6. Cephalexin | 1.27 | 2.68 | 1.62 | 0.6 | 4.5 | 0.85 | 30,e,k,n |
7. Cephapirin | 1.09 | 1.28 | 4.2 | −0.61 | 2.15 | 0.55 | 30,d,e,o |
8. Cephradine | 2.39 | 1.73 | 2.12 | −1.58 | 2.6, 7.4 | 0.95 | 30,k,l |
9. Cyclophosamide | 4.5 | 2.9 | 0.29 | 0.8 | 9.91 | 0.87 | 30,d,e,p |
10. Cyclazocine | 0.32 | 0.11 | 1.41 | 4.51 | 9.38 | NF | q–s |
11. Cytosine arabinoside | 5.58 | 4.5 | 19.8 | −2.46 | 4.2 | 0.87 | d,r,t,u |
12. Diazepam | 2.29 | 0.85 | 0.225 | 2.9 | 3.4 | 0.023 | 30,d,e |
13. Dicloxacillin | 2 | 2 | 2.1 | 3.7 | 2.6 | 0.033 | 30,e,v,w |
14. Digoxin | 0.85 | 0.144 | 0.145 | 2.2 | 13.5 | 0.7 | 30,d,e,x |
15. Doxorubicin | 5.1 | 0.29 | 0.48 | −0.5 | 8.3 | 0.28 | 30,d,e,y |
16. Erythromycin | 0.52 | 0.64 | 0.71 | 3.06 | 8.88 | 0.1 | 30,e,z |
17. 5-Fluorouracil | 12 | 12 | 10.8 | −0.8 | 8.02 | 0.64 | 30,d,e |
18. Hydrochlorothiazide | 0.184 | 0.218 | 0.214 | −0.5 | 7.9, 9.2 | NF | e,t,aa |
19. 6'-Hydroxycinchonine | 8.04 | 2.22 | 7.98 | 2.73 | NF | NF | bb,cc |
20. Isosorbide dinitrate | 4.2 | 7.2 | 3.6 | 0.87 | NF | 0.72 | 30,e,dd |
21. Leuprolide | 1.292 | 0.679 | 0.956 | 0.1 | 9.6 | 0.54 | 30,e,ee,ff |
22. Lidocaine | 2.46 | 1.74 | 1.32 | 2.1 | 8.01 | 0.33 | 30,e,gg |
23. LSD | 3.083 | 4.358 | 0.407 | 2.95 | 7.5 | 0.2 | e,hh–jj |
24. Methotrexate | 0.0054 | 0.0448 | 0.33 | −2.2 | 4.7 | 0.37 | 30,e,kk |
25. Methyldopa | 0.72 | 1.02 | 0.84 | −1.7 | 2.2, 9.2, 10.6, 12 | 0.85 | 30,d,e,ll |
26. Morphine | 36 | 2.7 | 6 | 0.8 | 8.21 | 0.65 | 30,d,e |
27. Naltrexone | 0.0612 | 0.0996 | 0.6642 | 0.7 | 8.13 | 0.79 | 30,e,mm,nn |
28. Oxacillin | 2.22 | 3.6 | 3.42 | 2.4 | 2.72 | 0.07 | 30,d,e |
29. Phosphonomycin | 0.91 | 0.99 | 0.64 | −1.6 | 8.3 | 1 | 30,e,oo,pp |
30. Procainamide | 3.252 | 1.398 | 0.972 | 1.3 | 9.32 | 0.84 | 30,e,qq |
31. Propanolol | 5.9 | 1.3 | 1.5 | 3 | 9 | 0.13 | 30,d,e,rr |
32. Quinidine | 13.56 | 1.14 | 12.42 | 2.6 | 8.56 | 0.26 | 30,e,bb |
33. Sulfisoxazole | 0.45 | 0.87 | 0.195 | 0.9 | 5 | 0.079 | 30,e,ss |
34. Sulpiride | 3.5 | 0.687 | 0.889 | 0.6 | 9.12 | 0.95 | e,tt,uu |
35. Theophylline | 2.7 | 3.1 | 0.31 | −0.8 | 8.81 | 0.61 | 30,d,e |
36. Topotecan | 0.01 | 0.025 | 0.022 | 0.8 | 7.2 | 0.65 | 26, 30,e,vv |
37. Tubocurarine | 2.34 | 2.76 | 1.02 | 3.12 | 8.1, 9.1 | 0.58 | 30,d,e,ww |
38. Warfarin | 1.61 | 1.52 | 0.033 | 3 | 5 | 0.015 | 30,d,e,xx |
The intercompartmental microrate constants of various pharmaceuticals (unit: hour−1). These are used to simulate a wide range of pharmacokinetic possibilities. The log P (lipophilicity), pKa (acid dissociation constant), and fu (fraction unbound) are also reported.
NF, not found.
Kamath BL, Lai CM, Gupta SD, et al. Pharmacokinetics of procainamide and N-acetylprocainamide in rats. J Pharm Sci 1981;70:299.
eMolecules. N-Acetylprocainamide LogP. Online document at www.emolecules.com/cgi-bin/more?vid=488217 Accessed June 17, 2009.
Meyer W, Kaye CM, Turner P. A study of the influence of pH on the buccal absorption and renal excretion of procainamide. Eur J Clin Pharmacol 1974;7:287.
Abramson FP. Two-compartment pharmacokinetic models: Computer simulations of their characteristics and clinical consequences. J Pharm Sci 1981;70:141.
Wishart DS, Knox C, Guo AC, et al. DrugBank: A knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res 2008;36(Database issue):D901.
Sjovall J, Alvan G, Westerlund D. Oral cyclacillin interacts with the absorption of oral ampicillin, amoxycillin, and bacampicillin. Eur J Clin Pharmacol 1985;29:495.
Jusko WJ, Gibaldi M. Effects of change in elimination on varous parameters of the two-compartment open model. J Pharm Sci 1972;61:1270.
Visser LG, Arnouts P, van Furth R, et al. Clinical pharmacokinetics of continuous intravenous administration of penicillins. Clin Infect Dis 1993;17:491.
Tetko IV, Jaroszewicz I, Platts JA, et al. Calculation of lipophilicity for Pt(II) complexes: Experimental comparison of several methods. J Inorg Biochem 2008;102:1424.
Reedijk J. New clues for platinum antitumor chemistry: Kinetically controlled metal binding to DNA. Proc Natl Acad Sci U S A 2003;100:3611.
Greene DS, Quintiliani R, Nightingale CH. Physiological perfusion model for cephalosporin antibiotics I: Model selection based on blood drug concentrations. J Pharm Sci 1978;67:191.
Yang G, Cao W, Zhu T, et al. The QRAR model study of beta-lactam antibiotics by capillary coated with cell membrane. J Chromatogr B Anal Technol Biomed Life Sci 2008;873:1.
Pharma Professional Services. Online document at www.druginfosys.com/ Accessed June 17, 2009.
Siarheyeva A, Lopez JJ, Glaubitz C. Localization of multidrug transporter substrates within model membranes. Biochemistry 2006;45:6203.
EMoT: Encyclopedia of Molecular Targets. Cambridge, MA: Massachusetts Institute of Technology. Online document at http://emot.mit.edu/ Accessed June 17, 2009.
Chemical Book. Online document at www.chemicalbook.com/ProductIndex_EN.aspx Accessed June 17, 2009.
Peterson JE, Barnick CT, Benziger D, et al. Analysis of cyclazocine in plasma. J Pharm Sci 1979;68:1447.
NIAID—Division of AIDS HIV/OI/TB Therapeutics Database. Online document at http://chemdb2.niaid.nih.gov/struct_search/ Accessed June 17, 2009.
Kaufman JJ, Semo NM, Koski WS. Microelectrometric titration measurement of the pKa's and partition and drug distribution coefficients of narcotics and narcotic antagonists and their pH and temperature dependence. J Med Chem 1975;18:647.
Drugs.com. Drug Information Online. Online document at www.drugs.com/ Accessed June 17, 2009.
Slevin ML, Johnston A, Woollard RC, et al. Relationship between protein binding and extravascular drug concentrations of a water-soluble drug, cytosine arabinoside. JR Soc Med 1983;76:365.
Doluisio JT, LaPiana JC, Dittert LW. Pharmacokinetics of ampicillin trihydrate, sodium ampicillin, and sodium dicloxacillin following intramuscular injection. J Pharm Sci 1971;60:715.
Srisom P, Liawruangrath B, Liawruangrath S. Micellar liquid chromatographic determination of penicillins in pharmaceuticals. Chromatographia 2007;65:687.
Lam TN, Hunt CA. Discovering plausible mechanistic details of hepatic drug interactions. Drug Metab Dispos 2009;37:237.
Adams DJ. The impact of tumor physiology on camptothecin-based drug development. Curr Med Chem Anticancer Agents 2005;5:1.
Welling PG, Craig WA. Pharmacokinetics of intravenous erythromycin. J Pharm Sci 1978;67:1057.
Redalieu E, Chan KK, Tipnis V, et al. Kinetics of hydrochlorothiazide absorption in humans. J Pharm Sci 1985;74:765.
Ueda CT, Nickols JG. Comparative pharmacokinetics of quinidine and its O-desmethyl metabolite in rabbits. J Pharm Sci 1980;69:1400.
Mackey ZB, Baca AM, Mallari JP, et al. Discovery of trypanocidal compounds by whole cell HTS of Trypanosoma brucei. Chem Biol Drug Des 2006;67:355.
Doyle E, Chasseaud LF. Pharmacokinetics of isosorbide dinitrate in rhesus monkey, cynomolgus monkey, and baboon. J Pharm Sci 1981;70:1270.
Sennello LT, Finley RA, Chu SY, et al. Single-dose pharmacokinetics of leuprolide in humans following intravenous and subcutaneous administration. J Pharm Sci 1986;75:158.
Inc. s-aC. ELIGARD® (Leuprolide acetate for injection). Product Monograph. Online document at www.sanofi-aventis.ca/products/en/eligard.pdf Accessed May 31, 2009.
Bloedow DC, Ralston DH, Hargrove JC. Lidocaine pharmacokinetics in pregnant and nonpregnant sheep. J Pharm Sci 1980;69:32.
Levy G, Gibaldi M, Jusko WJ. Multicompartment pharmacokinetic models and pharmacologic effects. J Pharm Sci 1969;58:422.
Hoja H, Marquet P, Verneuil B, et al. Determination of LSD and N-demethyl-LSD in urine by liquid chromatography coupled to electrospray ionization mass spectrometry. J Chromatogr B Biomed Sci Appl 1997;692:329.
Bredberg U, Paalzow L. Pharmacokinetics of methylergometrine in the rat: Evidence for enterohepatic recirculation by a linked-rat model. Pharm Res 1990;7:14.
Sabot C, Debord J, Roullet B, et al. Comparison of 2- and 3-compartment models for the Bayesian estimation of methotrexate pharmacokinetics. Int J Clin Pharmacol Ther 1995;33:164.
Jordanian Pharmaceutical Manufacturing Co. PLC. Online document at www.jpm.com.jo/products.aspx?product=DOPANORE Accessed June 17, 2009.
Reuning RH, Batra VK, Ludden TM, et al. Plasma naltrexone kinetics after intravenous bolus administration in dogs and monkeys. J Pharm Sci 1979;68:411.
Narcotic antagonists: Naltrexone pharmacochemistry and sustained-release preparations. NIDA Res Monogr 1981;28:1.
Kwan KC, Wadke DA, Foltz EL. Pharmacokinetics of phosphonomycin in Man. I. Intravenous administration. J Pharm Sci. May 1971;60:678.
Krekel F, Samland AK, Macheroux P, et al. Determination of the pKa value of C115 in MurA (UDP-N-acetylglucosamine enolpyruvyltransferase) from Enterobacter cloacae. Biochemistry 17 2000;39:12671.
Manion CV, Lalka D, Baer DT, et al. Absorption kinetics of procainamide in humans. J Pharm Sci 1977;66:981.
Liedholm H, Wahlin-Boll E, Melander A. Mechanisms and variations in the food effect on propranolol bioavailability. Eur J Clin Pharmacol 1990;38:469.
Kaplan SA, Weinfeld RE, Abruzzo CW, et al. Pharmacokinetic profile of sulfisoxazole following intravenous, intramuscular, and oral administration to man. J Pharm Sci 1972;61:773.
Bres J, Bressolle F. Pharmacokinetics of sulpiride in humans after intravenous and intramuscular administrations. J Pharm Sci 1991;80:1119.
Niwa T, Inoue S, Shiraga T, et al. No inhibition of cytochrome P450 activities in human liver microsomes by sulpiride, an antipsychotic drug. Biol Pharm Bull 2005;28:188.
Gisvold O, Doerge RF, Wilson CO. Wilson and Gisvold's Textbook of Organic Medicinal and Pharmaceutical Chemistry. 8th Edition. Philadelphia: Lippincott, 1982.
Kalow W. The influence of pH on the ionization and biological activity of d-tubocurarine. J Pharmacol Exp Ther 1954;110:433.
Cassidy SL, Hale A, Buss DC, et al. In vitro drug adsorption to charcoal, silicas, acrylate copolymer and silicone oil with charcoal and with acrylate copolymer. Hum Exp Toxicol 1997;16:25.