Molecule Details
| InChIKey | CGIGDMFJXJATDK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Indomethacin |
| Canonical SMILES | COc1ccc2c(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 pChEMBL | 7.43 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00328 |
|---|---|
| Drug Name | Indomethacin |
| CAS Number | 53-86-1 |
| Groups | approved investigational |
| ATC Codes | S01CC02 M01AB51 S01BC01 M02AA23 M01AB01 C01EB03 |
| Description | Indometacin, 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 |