- Molecular NameIsotretinoin
- SynonymNA
- Weight300.442
- Drugbank_IDDB00982
- ACS_NO4759-48-2
- Show 2D model
- LogP (experiment)6.3
- LogP (predicted, AB/LogP v2.0)5.85
- pkaN/A
- LogD (pH=7, predicted)3.26
- Solubility (experiment)N/A
- LogS (predicted, ACD/Labs)(ph=7)-2.31
- LogSw (predicted, AB/LogsW2.0)0.01
- Sw (mg/ml) (predicted, ACD/Labs)0.01
- No.of HBond Donors1
- No.of HBond Acceptors2
- No.of Rotatable Bonds5
- TPSA37.3
- StatusFDA approved
- AdministrationN/A
- PharmacologyA medication used for the treatment of severe acne.
- Absorption_value90.0
- Absorption (description)Isotretinoin is rapidly absorbed after oral administration; the extent of which is increased in the presence of food.
- Caco_2N/A
- Bioavailability40.0
- Protein binding99.0
- Volume of distribution (VD)5 L/kg
- Blood/Plasma Partitioning ratio (D_blood)N/A
- MetabollsmBioavailability of the drug is low as first pass metabolism occurs in the liver and also metabolism occurs in the gut wall. Isotretinoin (I) is eliminated through metabolic oxidations catalyzed by multiple CYPs (2C8, 2C9, 3A4, 2B6). The 4-oxo-isotretinoin metabolite (4-oxo) is active and is found at higher concentrations than parent drug at steady state.
- Half life17 h
- ExcretionEqual amounts of the absorbed drug are excreted in faeces, mainly as the unchanged drug, and in urine, as the metabolites. Isotretinoin crosses the placenta.
- Urinary ExcretionNegligible
- Clerance5.5 ml/min/kg
- ToxicityOverdosing with isotretinoin has been associated with vomiting, facial flushing, abdominal pain, headache, dizziness and problems with muscle co-ordination/regularity.
- LD50 (rat)N/A
- LD50 (mouse)N/A