Molecule Details
InChIKeyCGIGDMFJXJATDK-UHFFFAOYSA-N
Compound NameIndomethacin
Canonical SMILESCOc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
Clinical Status Clinical Multi-Target
Targets (Human+Pathogen)11
Pfam Stratification Cross-Family
Avg pChEMBL7.43
SourceBindingDB;ChEMBL;TTD_MultiTarget
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00328
Drug NameIndomethacin
CAS Number53-86-1
Groups approved investigational
ATC Codes S01CC02 M01AB51 S01BC01 M02AA23 M01AB01 C01EB03
DescriptionIndometacin, or indomethacin, is a non-steroidal anti-inflammatory drug (NSAID) with anti-inflammatory, analgesic, and antipyretic properties. NSAIDs consist of agents that are structurally unrelated; the NSAID chemical classification of indometacin is an indole-acetic acid derivative with the chemi...

Categories: Acetic Acid Derivatives and Related Substances 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) Antigout Preparations Antiinflammatory Preparations, Non-Steroids for Topical Use Antiinflammatory and Antirheumatic Products Antiinflammatory and Antirheumatic Products, Non-Steroids Antirheumatic Agents BSEP/ABCB11 Substrates Cardiac Therapy Cardiovascular Agents Central Nervous System Agents Cyclooxygenase Inhibitors Cytochrome P-450 CYP2C19 Inhibitors Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C19 inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Hypoglycemia-Associated Agents Immunosuppressive Agents Indoles Musculo-Skeletal System Myelosuppressive Agents Nephrotoxic agents Non COX-2 selective NSAIDS OAT1/SLC22A6 Substrates OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OAT3/SLC22A8 Substrates OATP1B1/SLCO1B1 Inhibitors Ophthalmologicals Other Nonsteroidal Anti-inflammatory Agents P-glycoprotein inhibitors P-glycoprotein substrates Peripheral Nervous System Agents Sensory Organs Sensory System Agents Tocolytic Agents Topical Products for Joint and Muscular Pain UGT1A1 Inhibitors UGT1A1 Substrates UGT1A9 Substrates UGT2B7 Inhibitors UGT2B7 substrates
Cross-references: BindingDB: 17638 ChEBI: 49662 CHEMBL6 ChemSpider: 3584 Drugs Product Database (DPD): 10126 Guide to Pharmacology: 1909 IUPHAR: 1909 C01926 D00141 PDB: IMN PharmGKB: PA449982 PubChem:3715 PubChem:46508291 RxCUI: 5781 Therapeutic Targets Database: DAP000617 Wikipedia: Indometacin ZINC: ZINC000000601283
Target Activities (11)
Target Gene Organism Category Pfam pChEMBL Type Source
Q6XQN6 NAPRT Homo sapiens Human PF17956 PF17767 9.8 Ki ChEMBL
Q9Y6L6 SLCO1B1 Homo sapiens Human PF07648 PF03137 8.7 Ki BindingDB
P23219 PTGS1 Homo sapiens Human PF03098 8.2 pIC50 TTD_MultiTarget
P43116 PTGER2 Homo sapiens Human PF00001 7.7 Ki BindingDB
P10145 CXCL8 Homo sapiens Human PF00048 7.3 IC50 ChEMBL;BindingDB
Q9Y5Y4 PTGDR2 Homo sapiens Human PF00001 7.3 Ki ChEMBL;BindingDB
P24557 TBXAS1 Homo sapiens Human PF00067 7.0 IC50 ChEMBL;BindingDB
P00403 MT-CO2 Homo sapiens Human PF00116 PF02790 6.7 IC50 ChEMBL;BindingDB
P42330 AKR1C3 Homo sapiens Human PF00248 6.6 IC50 ChEMBL;BindingDB
P35354 PTGS2 Homo sapiens Human PF03098 6.3 IC50 ChEMBL;BindingDB
P02768 ALB Homo sapiens Human PF00273 6.2 Kd ChEMBL;BindingDB
DrugBank Target Actions (39)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P16662 UGT2B7 UDP-glucuronosyltransferase 2B7 inhibitor enzymes
P22309 UGT1A1 UDP-glucuronosyltransferase 1A1 inhibitor enzymes
P33261 CYP2C19 Cytochrome P450 2C19 inhibitor enzymes
O60656 O60656 UDP-glucuronosyltransferase 1A9 substrate enzymes
P11712 CYP2C9 Cytochrome P450 2C9 substrate enzymes
P16662 UGT2B7 UDP-glucuronosyltransferase 2B7 substrate enzymes
P22309 UGT1A1 UDP-glucuronosyltransferase 1A1 substrate enzymes
P23141 CES1 Liver carboxylesterase 1 substrate enzymes
P33261 CYP2C19 Cytochrome P450 2C19 substrate enzymes
P37231 PPARG Peroxisome proliferator-activated receptor gamma activator targets
Q07869 PPARA Peroxisome proliferator-activated receptor alpha agonist targets
P19525 EIF2AK2 Interferon-induced, double-stranded RNA-activated protein kinase inducer targets
P14555 PLA2G2A Phospholipase A2, membrane associated inhibitor targets
P23219 PTGS1 Human Cyclooxygenases inhibitor targets
P35354 PTGS2 Prostaglandin G/H synthase 2 inhibitor targets
P42330 AKR1C3 Aldo-keto reductase family 1 member C3 inhibitor targets
Q04760 GLO1 Lactoylglutathione lyase inhibitor targets
Q8N8N7 Q8N8N7 Prostaglandin reductase 2 inhibitor targets
Q9Y5Y4 PTGDR2 Prostaglandin D2 receptor 2 other/unknown targets
O15438 ABCC3 ATP-binding cassette sub-family C member 3 inhibitor transporters
O15439 O15439 ATP-binding cassette sub-family C member 4 inhibitor transporters
O95255 O95255 ATP-binding cassette sub-family C member 6 inhibitor transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 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
Q92887 ABCC2 ATP-binding cassette sub-family C member 2 inhibitor transporters
Q96J66 Q96J66 ATP-binding cassette sub-family C member 11 inhibitor transporters
Q9NSA0 SLC22A11 Solute carrier family 22 member 11 inhibitor transporters
Q9Y6L6 SLCO1B1 Solute carrier organic anion transporter family member 1B1 inhibitor transporters
O95342 ABCB11 Bile salt export pump substrate transporters
P08183 ABCB1 ATP-dependent translocase ABCB1 substrate transporters
P46721 P46721 Solute carrier organic anion transporter family member 1A2 substrate transporters
Q14973 SLC10A1 Hepatic sodium/bile acid cotransporter substrate transporters
Q4U2R8 SLC22A6 Solute carrier family 22 member 6 substrate transporters
Q92887 ABCC2 ATP-binding cassette sub-family C member 2 substrate transporters
Q9Y694 Q9Y694 Solute carrier family 22 member 7 substrate transporters