Compound Detail
CHEMBL6
INDOMETHACIN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL6 |
| Name | INDOMETHACIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
67
Targets
572
Activities
4
Assay Types
30
PK Parameters
20
Publications
30
Known Names
20
Indications
1
Mechanisms
Molecular Properties
357.8
MW (Da)
3.93
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1965 |
| Availability | Prescription |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase inhibitor | INHIBITOR | Cyclooxygenase | ✓ | ✓ |
Indications
Acute Pain Arthralgia Arthritis, Gouty Arthritis, Rheumatoid Cardiovascular Diseases Ductus Arteriosus, Patent Eye Diseases Myalgia Osteoarthritis Rheumatic Diseases Spondylitis Spondylitis, Ankylosing Alzheimer Disease Hemorrhage Inflammation Pancreatitis Pancreatitis Premature Birth Renal Colic Severe Acute Respiratory Syndrome
ATC Classification
C01EB03
indometacin
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
M01AB01
indometacin
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M01AB51
indometacin, combinations
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M02AA23
indometacin
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
S01BC01
indometacin
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Drug Warnings
Black Box Warning
neurotoxicity
Black Box Warning
gastrointestinal toxicity
Black Box Warning
cardiotoxicity
Activity Summary
IC50 541 meas. best 9.85
Ki 19 meas. best 9.82
EC50 7 meas. best 9.85
Kd 5 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 9.85 | 6.9899 | 0.1 | 78 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 9.85 | 6.1744 | 0.1 | 123 |
| Androgen receptor CHEMBL1871 | EC50 | 9.85 | 9.85 | 0.1 | 1 |
| Nicotinate phosphoribosyltransferase CHEMBL4523354 | Ki | 9.82 | 9.82 | 0.1 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2649 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 8.54 | 6.6988 | 2.9 | 8 |
| THP-1 CHEMBL614245 | IC50 | 8.44 | 7.1967 | 3.6 | 3 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 8.4 | 6.9105 | 4.0 | 80 |
| Prostaglandin G/H synthase 1 CHEMBL2860 | IC50 | 8.39 | 6.314 | 4.1 | 5 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 6.27 | 5.0 | 18 |
| Prostaglandin G/H synthase 1 CHEMBL4042 | IC50 | 8.22 | 7.72 | 6.0 | 3 |
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 8.19 | 6.9789 | 6.4 | 9 |
| Prostaglandin G/H synthase 2 CHEMBL2977 | IC50 | 8.0 | 7.5533 | 10.0 | 3 |
| Cyclooxygenase CHEMBL2094253 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Cyclooxygenase CHEMBL2096674 | IC50 | 7.96 | 6.3911 | 11.0 | 9 |
| Prostaglandin G/H synthase (cyclooxygenase) CHEMBL2111349 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 7.3 | 6.2 | 50.0 | 2 |
| Interleukin-8 CHEMBL2157 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 7.28 | 4.8065 | 52.8 | 49 |
| Cytochrome c oxidase subunit 2 CHEMBL6174 | IC50 | 7.16 | 6.685 | 70.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 7.06 | 5.5748 | 87.0 | 25 |
| Prostaglandin G/H synthase 2 CHEMBL230 | Kd | 7.04 | 7.04 | 92.0 | 1 |
| Aldo-keto reductase family 1 member C3 CHEMBL4681 | IC50 | 7.0 | 5.6513 | 100.0 | 8 |
| Platelet CHEMBL4296519 | IC50 | 7.0 | 6.1825 | 100.0 | 4 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Blood CHEMBL613416 | IC50 | 6.92 | 6.66 | 120.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.85 | 4.9878 | 140.0 | 9 |
| Prostaglandin G/H synthase (cyclooxygenase) CHEMBL2111358 | IC50 | 6.82 | 6.0333 | 150.0 | 3 |
| Mus musculus CHEMBL375 | IC50 | 6.62 | 6.535 | 240.0 | 6 |
| Prostaglandin G/H synthase 1 CHEMBL221 | Kd | 6.6 | 6.6 | 253.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.6 | 6.025 | 250.0 | 10 |
| Mononuclear cell line CHEMBL614723 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Prostaglandin D2 receptor 2 CHEMBL5071 | EC50 | 6.41 | 6.41 | 389.0 | 1 |
| Prostaglandin-H2 D-isomerase CHEMBL4334 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Albumin CHEMBL3253 | Kd | 6.16 | 6.16 | 700.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.1 | 5.16 | 800.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL230 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Solute carrier family 22 member 6 CHEMBL1641347 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 5.44 | 5.44 | 3631.0 | 1 |
| Solute carrier family 22 member 6 CHEMBL1777665 | Ki | 5.38 | 5.19 | 4200.0 | 2 |
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 5.35 | 4.718 | 4500.0 | 5 |
| Zingiber officinale CHEMBL2366941 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| Canine coronavirus CHEMBL5291668 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL3081 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| ATP-binding cassette sub-family C member 4 CHEMBL1743128 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Organic anion transporter 3 CHEMBL1641348 | Ki | 5.22 | 5.22 | 5950.0 | 1 |
| Aldo-keto reductase family 1 member B1 CHEMBL1900 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 5.15 | 4.678 | 7100.0 | 5 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | Ki | 5.1 | 5.1 | 7900.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 93771.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 97096.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 279.8 | - | Chlorocebus sabaeus |
| CL | 2.24 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.002 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 0.43 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.3 | mL.min-1.kg-1 | Homo sapiens |
| CL | 2.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 13.0 | mL.min-1.kg-1 | Macaca |
| CL | 1e-06 | mL.min-1.g-1 | Homo sapiens |
| CL | 0.21 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.2 | mL.min-1.g-1 | Homo sapiens |
| CL | 5.2 | mL.min-1.g-1 | Homo sapiens |
| CL | - | - | Homo sapiens |
| CL | 1.58 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1.58 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.001 | uL/min | Homo sapiens |
| Cmax | 29011.43 | nM | Rattus norvegicus |
| Cmax | 2794.94 | nM | Homo sapiens |
| Cmax | 5589.87 | nM | Homo sapiens |
| Cmax | 25.0 | nM | Homo sapiens |
| F | 80.0 | % | Homo sapiens |
| F | 98.0 | % | Homo sapiens |
| F | 99.0 | % | Homo sapiens |
| F | 100.0 | % | Homo sapiens |
| Fu | 0.01 | - | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine