InChIKey	LNPDTQAFDNKSHK-UHFFFAOYSA-N
Compound Name	Valdecoxib
Canonical SMILES	Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	15
Pfam Stratification	Cross-Family
Avg pChEMBL	6.88
Source	BindingDB;ChEMBL;TTD_MultiTarget

DrugBank ID	DB00580
Drug Name	Valdecoxib
CAS Number	181695-72-7
Groups	approved withdrawn
ATC Codes	M01AH03 G01AE10
Description	Valdecoxib was removed from the Canadian, U.S., and E.U. markets in 2005 due to concerns about a possible increased risk of heart attack and stroke.

---

Categories: Agents causing hyperkalemia Agents that produce hypertension Amides Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents Benzene Derivatives COX-2 Inhibitors Cyclooxygenase Inhibitors Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (weak) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Musculo-Skeletal System Nephrotoxic agents Peripheral Nervous System Agents Selective Cyclooxygenase 2 Inhibitors (NSAIDs) Sensory System Agents Sulfonamides Sulfones Sulfur Compounds UGT1A9 Substrates

---

Cross-references: BindingDB: 13063 ChEBI: 63634 CHEMBL865 ChemSpider: 106796 PDB: COX PharmGKB: PA10226 PubChem:119607 PubChem:46506229 RxCUI: 278567 Therapeutic Targets Database: DAP001541 Wikipedia: Valdecoxib ZINC: ZINC000000006694