- Molecular NameRofecoxib
- SynonymMK 966; MK 996; rofecoxib
- Weight314.361
- Drugbank_IDN/A
- ACS_NO162011-90-7
- Show 2D model
- LogP (experiment)3.019
- LogP (predicted, AB/LogP v2.0)2.65
- pkaN/A
- LogD (pH=7, predicted)2.65
- Solubility (experiment)Insoluble
- LogS (predicted, ACD/Labs)(ph=7)-3.09
- LogSw (predicted, AB/LogsW2.0)0.01
- Sw (mg/ml) (predicted, ACD/Labs)0.25
- No.of HBond Donors0
- No.of HBond Acceptors4
- No.of Rotatable Bonds3
- TPSA68.82
- StatusN/A
- AdministrationN/A
- PharmacologyA nonsteroidal anti-inflammatory drug (NSAID) that has now been withdrawn over safety concerns.
- Absorption_valueN/A
- Absorption (description)The mean oral bioavailability of rofecoxib at therapeutically recommended doses of 12.5, 25, and 50 mg is approximately 93%.
- Caco_2N/A
- Bioavailability93.0
- Protein binding87.0
- Volume of distribution (VD)Approximately 91 to 100 L (1.55 L/kg)
- Blood/Plasma Partitioning ratio (D_blood)N/A
- MetabollsmHepatic. Metabolism of rofecoxib is primarily mediated through reduction by cytosolic enzymes. The principal metabolic products are the cis-dihydro and trans-dihydro derivatives of rofecoxib, which account for nearly 56% of recovered radioactivity in the urine. An additional 8.8% of the dose was recovered as the glucuronide of the hydroxy derivative, a product of oxidative metabolism. The biotransformation of rofecoxib and this metabolite is reversible in humans to a limited extent (< 5%). These metabolites are inactive as COX-1 or COX-2 inhibitors. Cytochrome P450 plays a minor role in metabolism of rofecoxib.
- Half life17 h
- Excretionbiliary/renal
- Urinary ExcretionN/A
- CleranceN/A
- ToxicityNo overdoses of rofecoxib were reported during clinical trials. Administration of single doses of rofecoxib 1000 mg to 6 healthy volunteers and multiple doses of 250 mg/day for 14 days to 75 healthy volunteers did not result in serious toxicity.
- LD50 (rat)N/A
- LD50 (mouse)N/A