InChIKey	RZJQGNCSTQAWON-UHFFFAOYSA-N
Compound Name	Rofecoxib
Canonical SMILES	CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1
Clinical Status	Data-mined Candidate
Targets (Human+Pathogen)	3
Pfam Stratification	Cross-Family
Avg pChEMBL	7.27
Source	BindingDB;ChEMBL

DrugBank ID	DB00533
Drug Name	Rofecoxib
CAS Number	162011-90-7
Groups	approved withdrawn
ATC Codes	M01AH02
Description	Rofecoxib is used for the treatment of osteoarthritis, rheumatoid arthritis, acute pain in adults, and primary dysmenorrhea, as well as acute treatment of migraine attacks with or without auras. Rofecoxib is a solid. This compound belongs to the stilbenes. These are organic compounds containing a 1,...

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Categories: Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents COX-2 Inhibitors Cyclooxygenase Inhibitors Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strong) Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (weak) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Musculo-Skeletal System Nephrotoxic agents Peripheral Nervous System Agents Selective Cyclooxygenase 2 Inhibitors (NSAIDs) Sensory System Agents Sulfur Compounds

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Cross-references: BindingDB: 22369 ChEBI: 8887 CHEMBL122 ChemSpider: 4911 Drugs Product Database (DPD): 11924 C07590 D00568 PDB: RCX PharmGKB: PA451268 PubChem:5090 PubChem:46504787 RxCUI: 232158 Therapeutic Targets Database: DAP001338 Wikipedia: Rofecoxib ZINC: ZINC000000007455