Compound Detail
CHEMBL435298
ESFLURBIPROFEN 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL435298 |
| Name | ESFLURBIPROFEN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | SYTBZMRGLBWNTM-JTQLQIEISA-N |
3
Targets
3
Activities
1
Assay Types
1
PK Parameters
14
Publications
6
Known Names
3
Indications
1
Mechanisms
Molecular Properties
244.3
MW (Da)
3.68
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2015 |
| Availability | Unknown |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase inhibitor | INHIBITOR | Cyclooxygenase | ✓ | ✓ |
Indications
Arthralgia Myalgia Sprains and Strains
ATC Classification
M02AA29
esflurbiprofen
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL4042 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 92.0 | % | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 30.0 | nM | 7.52 | Concentration required to inhibit cyclooxygenase-1 in rat blood | 16134939 |
| Prostaglandin G/H synthase 2 | IC50 | = | 910.0 | nM | 6.04 | Concentration required to inhibit cyclooxygenase-2 in human blood | 16134939 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of COX1 in human whole blood | 16455248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 15974585 | 10.1021/jm049082i | Interleukin-8 receptors, CXCR1/CXCR2 | 1 |
| 15974585 | 10.1021/jm049082i | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| 16134939 | 10.1021/jm0502541 | Prostaglandin G/H synthase 1 | 1 |
| 16134939 | 10.1021/jm0502541 | Prostaglandin G/H synthase 2 | 1 |
| 16455248 | 10.1016/j.bmcl.2006.01.033 | Gamma-secretase | 1 |
| 16455248 | 10.1016/j.bmcl.2006.01.033 | Unchecked | 1 |
| 16455248 | 10.1016/j.bmcl.2006.01.033 | Prostaglandin G/H synthase 1 | 1 |
| 17870541 | 10.1016/j.bmc.2007.08.060 | Homo sapiens | 1 |
| 21141968 | 10.1021/jm101168r | Mus musculus | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine