Molecule Details
| InChIKey | DCOPUUMXTXDBNB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Diclofenac |
| Canonical SMILES | O=C(O)Cc1ccccc1Nc1c(Cl)cccc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.63 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00586 |
|---|---|
| Drug Name | Diclofenac |
| CAS Number | 15307-86-5 |
| Groups | approved investigational vet_approved |
| ATC Codes | S01CC01 S01BC03 M01AB55 M02AA15 M01AB05 D11AX18 |
| Description | Diclofenac 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 |