Molecule Details
| InChIKey | HUPFGZXOMWLGNK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Diflunisal |
| Canonical SMILES | O=C(O)c1cc(-c2ccc(F)cc2F)ccc1O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.23 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00861 |
|---|---|
| Drug Name | Diflunisal |
| CAS Number | 22494-42-4 |
| Groups | approved |
| ATC Codes | N02BA11 |
| Description | Diflunisal, a salicylate derivative, is a nonsteroidal anti-inflammatory agent (NSAIA) with pharmacologic actions similar to other prototypical NSAIAs. Diflunisal possesses anti-inflammatory, analgesic and antipyretic activity. Though its mechanism of action has not been clearly established, most of... |
Categories: Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antirheumatic Agents Benzene Derivatives Cyclooxygenase Inhibitors Drugs causing inadvertant photosensitivity Drugs that are Mainly Renally Excreted Enzyme Inhibitors Hydroxybenzoates Nephrotoxic agents Nervous System Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors Other Nonsteroidal Anti-inflammatory Agents Peripheral Nervous System Agents Phenols Photosensitizing Agents Salicylates Salicylic Acid and Derivatives Sensory System Agents UGT1A9 Inhibitors
Cross-references: BindingDB: 50240510 ChEBI: 39669 CHEMBL898 ChemSpider: 2951 Drugs Product Database (DPD): 2113 C01691 D00130 PDB: 1FL PharmGKB: PA449313 PubChem:3059 PubChem:46507807 RxCUI: 3393 Therapeutic Targets Database: DAP000152 Wikipedia: Diflunisal ZINC: ZINC000000020243
Target Activities (3)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02766 | TTR | Transthyretin | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | inhibitor | enzymes |
| Q9HAW9 | Q9HAW9 | UDP-glucuronosyltransferase 1A8 | substrate | enzymes |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |