Molecule Details
| InChIKey | HEFNNWSXXWATRW-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ibuprofen, (+-)- |
| Canonical SMILES | CC(C)Cc1ccc(C(C)C(=O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.8 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01050 |
|---|---|
| Drug Name | Ibuprofen |
| CAS Number | 15687-27-1 |
| Groups | approved investigational |
| ATC Codes | C01EB16 R02AX02 N02AJ19 M01AE51 G02CC01 M01AE01 M02AA13 N02AJ08 N02AJ23 |
| Description | Ibuprofen is a non-steroidal anti-inflammatory drug (NSAID) derived from propionic acid and it is considered the first of the propionics.[A39074] The formula of ibuprofen is 2-(4-isobutylphenyl) propionic acid and its initial development was in 1960 while researching for a safer alternative for aspi... |
Categories: Acids, Carbocyclic Agents causing angioedema Agents causing hyperkalemia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anti-Inflammatory Agents Anti-Inflammatory Agents, Non-Steroidal Antiinflammatory Preparations, Non-Steroids for Topical Use Antiinflammatory Products for Vaginal Administration Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents Arylpropionic acid NSAIDS COX-1 Inhibitors COX-2 Inhibitors Central Nervous System Agents Cyclooxygenase Inhibitors Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Enzyme Inhibitors Experimental Unapproved Treatments for COVID-19 Nephrotoxic agents Nervous System Non COX-2 selective NSAIDS OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OATP2B1/SLCO2B1 substrates Other Nonsteroidal Anti-inflammatory Agents P-glycoprotein inhibitors P-glycoprotein substrates Peripheral Nervous System Agents Pharmaceutical Preparations Phenylpropionates Propionates Sensory System Agents Throat Preparations Topical Products for Joint and Muscular Pain UDP Glucuronosyltransferases Inhibitors UGT1A1 Substrates UGT1A3 substrates UGT1A9 Substrates UGT2B17 Inhibitors UGT2B7 substrates
Cross-references: BindingDB: 50009859 ChEBI: 5855 CHEMBL521 ChemSpider: 3544 Drugs Product Database (DPD): 2609 Guide to Pharmacology: 2713 IUPHAR: 2713 C01588 D00126 PharmGKB: PA449957 PubChem:3672 PubChem:46507255 RxCUI: 5640 Therapeutic Targets Database: DAP000780 Wikipedia: Ibuprofen
Target Activities (2)
DrugBank Target Actions (31)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| D6RB81 | D6RB81 | Alpha-methylacyl-CoA racemase | substrate | enzymes |
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | 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 |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P35503 | P35503 | UDP-glucuronosyltransferase 1A3 | substrate | enzymes |
| P37231 | PPARG | Peroxisome proliferator-activated receptor gamma | activator | targets |
| Q07869 | PPARA | Peroxisome proliferator-activated receptor alpha | activator | targets |
| P12104 | FABP2 | Fatty acid-binding protein, intestinal | binder | targets |
| P07204 | P07204 | Thrombomodulin | inducer | targets |
| P07359 | P07359 | Platelet glycoprotein Ib alpha chain | inducer | targets |
| P31151 | P31151 | Protein S100-A7 | inducer | targets |
| P10145 | CXCL8 | Interleukin-8 | inhibitor | targets |
| P13569 | CFTR | Cystic fibrosis transmembrane conductance regulator | inhibitor | targets |
| P23219 | PTGS1 | Prostaglandin G/H synthase 1 | inhibitor | targets |
| P25024 | CXCR1 | C-X-C chemokine receptor type 1 | inhibitor | targets |
| P25025 | CXCR2 | C-X-C chemokine receptor type 2 | inhibitor | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inhibitor | targets |
| P10415 | BCL2 | Apoptosis regulator Bcl-2 | modulator | targets |
| O15439 | O15439 | ATP-binding cassette sub-family C member 4 | inhibitor | transporters |
| P33527 | ABCC1 | Multidrug resistance-associated protein 1 | inhibitor | transporters |
| P46721 | P46721 | Solute carrier organic anion transporter family member 1A2 | 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 |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |