Compound Information | SONAR Target prediction |
Name: | ROFECOXIB |
Unique Identifier: | SPE01504235 |
MolClass: | Checkout models in ver1.5 and ver1.0 |
Molecular Formula: | |
Molecular Weight: | 300.246 g/mol |
X log p: | 17.839 (online calculus) |
Lipinksi Failures | 1 |
TPSA | 68.82 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptors Count: | 4 |
Rotatable Bond Count: | 3 |
Canonical Smiles: | CS(=O)(=O)c1ccc(cc1)C1COC(=O)C=1c1ccccc1 |
Source: | synthetic |
Therapeutics: | COX2 inhibitor, antiinflammatory, antiarthritic |
Generic_name: | Rofecoxib |
Chemical_iupac_name: | 4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one |
Drug_type: | Approved Drug |
Pharmgkb_id: | PA451268 |
Kegg_compound_id: | C07590 |
Drugbank_id: | APRD00151 |
H2o_solubility: | Insoluble |
Logp: | 3.019 |
Cas_registry_number: | 162011-90-7 |
Drug_category: | Anti-Inflammatory Agents, Non-Steroidal; Cyclooxygenase Inhibitors; ATC:M01AH02 |
Indication: | For the treatment of osteoarthritis, acute pain in adults and menstrual pain. |
Pharmacology: | Rofecoxib, a selective cyclooxygenase-2 (COX-2) inhibitor, is classified as a nonsteroidal anti-inflammatory drug (NSAID). Rofecoxib is used for its anti-inflammatory, analgesic, and antipyretic activities in the management of osteoarthritis (OA) and for the treatment of dysmenorrhea or acute pain. Unlike celecoxib, rofecoxib lacks a sulfonamide chain and does not require CYP450 enzymes for metabolism. |
Mechanism_of_action: | Both COX-1 and COX-2 catalyze the conversion of arachidonic acid to prostaglandin (PG) H2, the precursor of PGs and thromboxane. Rofecoxib selectively inhibits the cyclooxygenase-2 (COX-2) enzyme, important for the mediation of inflammation and pain. Unlike non-selective NSAIDs, rofecoxib does not inhibit platelet aggregation. |
Organisms_affected: | Humans and other mammals |