Details of the Drug

General Information of Drug (ID: )

• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw)
  Logarithm of the Partition Coefficient (xlogp)
  Rotatable Bond Count (rotbonds)
  Hydrogen Bond Donor Count (hbonddonor)
  Hydrogen Bond Acceptor Count (hbondacc)
• ADMET Property:
  Absorption Tmax: The time to maximum plasma concentration (Tmax) is 0.8-4 h [1]
  Bioavailability: The bioavailability of drug is 8-30% [1]
  Clearance: The clearance of drug is 15.9 L/h in pediatric patients with neuroblastoma [2]
  Elimination: Isotretinoin and its metabolites are conjugated and excreted in the urine and feces in similar amounts. 53-74% of an oral dose is eliminated as unchanged isotretinoin in the feces [3]
  Half-life: The concentration or amount of drug in body reduced by one-half in 7 - 39 hours [4]
  Vd: The volume of distribution (Vd) of drug is 85 L [4]

References

• [1] Lu J, Poppitt SD, Othman AA, Sunderland T, Ruggiero K, Willett MS, Diamond LE, Garcia WD, Roesch BG, Cooper GJ: Pharmacokinetics, pharmacodynamics, and metabolism of triethylenetetramine in healthy human participants: an open-label trial. J Clin Pharmacol. 2010 Jun;50(6):647-58. doi: 10.1177/0091270009349379. Epub 2010 Feb 9.
• [2] Veal GJ, Cole M, Errington J, Pearson AD, Foot AB, Whyman G, Boddy AV: Pharmacokinetics and metabolism of 13-cis-retinoic acid (isotretinoin) in children with high-risk neuroblastoma - a study of the United Kingdom Children's Cancer Study Group. Br J Cancer. 2007 Feb 12;96(3):424-31. doi: 10.1038/sj.bjc.6603554. Epub 2007 Jan 16.
• [3] Khoo KC, Reik D, Colburn WA: Pharmacokinetics of isotretinoin following a single oral dose. J Clin Pharmacol. 1982 Aug-Sep;22(8-9):395-402.
• [4] New Zealand Drug Data Sheet: Oratane