Molecule Details
InChIKeyHUPFGZXOMWLGNK-UHFFFAOYSA-N
Compound NameDiflunisal
Canonical SMILESO=C(O)c1cc(-c2ccc(F)cc2F)ccc1O
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.23
SourceChEMBL;BindingDB;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00861
Drug NameDiflunisal
CAS Number22494-42-4
Groups approved
ATC Codes N02BA11
DescriptionDiflunisal, 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)
Target Gene Organism Category Pfam pChEMBL Type Source
P02766 TTR Homo sapiens Human PF00576 6.4 Kd ChEMBL;BindingDB
Q4U2R8 SLC22A6 Homo sapiens Human PF00083 6.1 IC50 ChEMBL;BindingDB
P18505 GABRB1 Homo sapiens Human PF02931 PF02932 Clinical TTD_MultiTarget TTD_MultiTarget
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