Molecule Details
InChIKeyHEFNNWSXXWATRW-UHFFFAOYSA-N
Compound NameIbuprofen, (+-)-
Canonical SMILESCC(C)Cc1ccc(C(C)C(=O)O)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL6.8
SourceChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB01050
Drug NameIbuprofen
CAS Number15687-27-1
Groups approved investigational
ATC Codes C01EB16 R02AX02 N02AJ19 M01AE51 G02CC01 M01AE01 M02AA13 N02AJ08 N02AJ23
DescriptionIbuprofen 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)
Target Gene Organism Category Pfam pChEMBL Type Source
P35354 PTGS2 Homo sapiens Human PF03098 7.0 IC50 ChEMBL
P23219 PTGS1 Homo sapiens Human PF03098 6.6 IC50 ChEMBL
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