Molecule Details
InChIKeyDCOPUUMXTXDBNB-UHFFFAOYSA-N
Compound NameDiclofenac
Canonical SMILESO=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)5
Pfam Stratification Cross-Family
Avg pChEMBL7.63
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00586
Drug NameDiclofenac
CAS Number15307-86-5
Groups approved investigational vet_approved
ATC Codes S01CC01 S01BC03 M01AB55 M02AA15 M01AB05 D11AX18
DescriptionDiclofenac is a phenylacetic acid derivative and non-steroidal anti-inflammatory drug (NSAID).[label] NSAIDs inhibit cyclooxygenase (COX)-1 and-2 which are the enzyme responsible for producing prostaglandins (PGs). PGs contribute to inflammation and pain signalling. Diclofenac, like other NSAIDs, is...

Categories: Acetic Acid Derivatives and Related Substances Acids, Carbocyclic Agents causing angioedema Agents causing hyperkalemia Agents that produce hypertension Amines Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Anti-Inflammatory Agents, Non-Steroidal (Non-Selective) Antiinflammatory Preparations, Non-Steroids for Topical Use Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antimigraine Agents, Miscellaneous Antirheumatic Agents BSEP/ABCB11 Substrates Central Nervous System Agents Cyclooxygenase Inhibitors Cyclooxygenase-2 (COX-2) Inhibitors Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C18 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2E1 Inhibitors Cytochrome P-450 CYP2E1 Inhibitors (strength unknown) Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Decreased Prostaglandin Production Dermatologicals Drugs causing inadvertant photosensitivity Enzyme Inhibitors Ethylamines Musculo-Skeletal System Nephrotoxic agents Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors Ophthalmologicals Other Nonsteroidal Anti-inflammatory Agents P-glycoprotein inducers Peripheral Nervous System Agents Phenylacetates Photosensitizing Agents Sensory Organs Sensory System Agents Topical Products for Joint and Muscular Pain UDP Glucuronosyltransferases Inhibitors UGT1A1 Substrates UGT1A3 substrates UGT1A9 Substrates UGT2B17 Inhibitors UGT2B7 substrates
Cross-references: BindingDB: 13066 ChEBI: 47381 CHEMBL139 ChemSpider: 2925 Drugs Product Database (DPD): 2013 Guide to Pharmacology: 2714 IUPHAR: 2714 C01690 D07816 PDB: DIF PharmGKB: PA449293 PubChem:3033 PubChem:46504644 RxCUI: 3355 Therapeutic Targets Database: DAP000620 Wikipedia: Diclofenac ZINC: ZINC000000001281
Target Activities (5)
Target Gene Organism Category Pfam pChEMBL Type Source
P10145 CXCL8 Homo sapiens Human PF00048 8.1 IC50 ChEMBL;BindingDB
P25024 CXCR1 Homo sapiens Human PF00001 7.9 IC50 ChEMBL;BindingDB
P23219 PTGS1 Homo sapiens Human PF03098 7.8 IC50 ChEMBL;BindingDB
P35354 PTGS2 Homo sapiens Human PF03098 7.7 IC50 ChEMBL;BindingDB
P02766 TTR Homo sapiens Human PF00576 6.6 Kd ChEMBL;BindingDB
DrugBank Target Actions (32)
Target Gene Target Name Action Type
P02766 TTR Transthyretin binder carriers
P02768 ALB Albumin binder carriers
P05181 CYP2E1 Cytochrome P450 2E1 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 inhibitor enzymes
P14555 PLA2G2A Phospholipase A2, membrane associated inhibitor enzymes
P09917 ALOX5 Polyunsaturated fatty acid 5-lipoxygenase potentiator enzymes
O60656 O60656 UDP-glucuronosyltransferase 1A9 substrate enzymes
P05177 CYP1A2 Cytochrome P450 1A2 substrate enzymes
P06133 P06133 UDP-glucuronosyltransferase 2B4 substrate enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10632 CYP2C8 Cytochrome P450 2C8 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P16662 UGT2B7 UDP-glucuronosyltransferase 2B7 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P33260 CYP2C18 Cytochrome P450 2C18 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P35503 P35503 UDP-glucuronosyltransferase 1A3 substrate enzymes
P23219 PTGS1 Prostaglandin G/H synthase 1 inhibitor targets
P35354 PTGS2 Prostaglandin G/H synthase 2 inhibitor targets
O43525 KCNQ3 Potassium voltage-gated channel subfamily KQT member 3 agonist transporters
O43526 KCNQ2 Potassium voltage-gated channel subfamily KQT member 2 agonist transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 inducer transporters
O15439 O15439 ATP-binding cassette sub-family C member 4 inhibitor transporters
P33527 ABCC1 Multidrug resistance-associated protein 1 inhibitor transporters
P35499 SCN4A Sodium channel protein type 4 subunit alpha inhibitor transporters
P78348 ASIC1 Acid-sensing ion channel 1 inhibitor transporters
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 inhibitor transporters
Q8TCC7 SLC22A8 Organic anion transporter 3 inhibitor transporters
Q9NSA0 SLC22A11 Solute carrier family 22 member 11 inhibitor transporters
Q9NYB5 Q9NYB5 Solute carrier organic anion transporter family member 1C1 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters
O95342 ABCB11 Bile salt export pump substrate transporters