Molecule Details
| InChIKey | HYWYRSMBCFDLJT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Nimesulide |
| Canonical SMILES | CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.57 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04743 |
|---|---|
| Drug Name | Nimesulide |
| CAS Number | 51803-78-2 |
| Groups | approved withdrawn |
| ATC Codes | M01AX17 M02AA26 |
| Description | Nimesulide is a relatively COX-2 selective, non-steroidal anti-inflammatory drug (NSAID) with analgesic and antipyretic properties. Its approved indications are the treatment of acute pain, the symptomatic treatment of osteoarthritis and primary dysmenorrhoea in adolescents and adults above 12 years... |
Categories: Agents causing hyperkalemia Agents that produce hypertension Amides Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiarrhythmic agents Antiinflammatory Preparations, Non-Steroids for Topical Use Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antiplatelet agents Antirheumatic Agents Bradycardia-Causing Agents Calcium Channel Blockers Cyclooxygenase Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Enzyme Inhibitors Musculo-Skeletal System Nephrotoxic agents Peripheral Nervous System Agents Selective Cyclooxygenase 2 Inhibitors (NSAIDs) Sensory System Agents Sulfones Sulfur Compounds Topical Products for Joint and Muscular Pain
Cross-references: BindingDB: 50056999 ChEBI: 44445 CHEMBL56367 ChemSpider: 4339 D01049 PDB: NIM PharmGKB: PA137179528 PubChem:4495 PubChem:46507721 RxCUI: 53694 Therapeutic Targets Database: DPR000079 Wikipedia: Nimesulide ZINC: ZINC000004617749
Target Activities (2)
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| Q9NZK7 | PLA2G2E | Group IIE secretory phospholipase A2 | binder | targets |
| P02788 | P02788 | Lactotransferrin | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| P50591 | P50591 | Tumor necrosis factor ligand superfamily member 10 | modulator | targets |