Compound Detail
CHEMBL75435
DEXKETOPROFEN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL75435 |
| Name | DEXKETOPROFEN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DKYWVDODHFEZIM-NSHDSACASA-N |
| Therapeutic | ✓ Yes |
3
Targets
5
Activities
1
Assay Types
3
PK Parameters
20
Publications
7
Known Names
6
Indications
1
Mechanisms
Molecular Properties
254.3
MW (Da)
3.11
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1994 |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase inhibitor | INHIBITOR | Cyclooxygenase | ✓ | ✓ |
Indications
Arthralgia Myalgia Rheumatic Diseases Low Back Pain Pain Wounds and Injuries
ATC Classification
M01AE17
dexketoprofen
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M02AA27
dexketoprofen
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Activity Summary
IC50 5 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 8.72 | 8.535 | 1.9 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.57 | 7.105 | 27.0 | 2 |
| Interleukin-8 receptors, CXCR1/CXCR2 CHEMBL2096909 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 21.0 | uL.min-1.(10^6cells)-1 | Rattus norvegicus |
| F | 85.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 1.9 | nM | 8.72 | Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 f... | 10841807 |
| Prostaglandin G/H synthase 1 | IC50 | = | 4.483 | nM | 8.35 | DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 27.0 | nM | 7.57 | Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 f... | 10841807 |
| Interleukin-8 receptors, CXCR1/CXCR2 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells | 15974585 |
| Prostaglandin G/H synthase 2 | IC50 | = | 230.0 | nM | 6.64 | DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836611 | 10.1021/jm9810102 | No relevant target | 8 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Prostaglandin G/H synthase 1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| 15974585 | 10.1021/jm049082i | Interleukin-8 receptors, CXCR1/CXCR2 | 2 |
| 17870541 | 10.1016/j.bmc.2007.08.060 | Homo sapiens | 1 |
| 19545120 | 10.1021/jm900106f | Zinc finger protein GLI1 | 1 |
| 15974585 | 10.1021/jm049082i | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 26517378 | 10.1021/acs.jnatprod.5b00621 | ADMET | 1 |
| 26517378 | 10.1021/acs.jnatprod.5b00621 | DNA polymerase beta | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 10841807 | 10.1021/jm9906217 | Prostaglandin G/H synthase 1 | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 10841807 | 10.1021/jm9906217 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine