Compound Detail
CHEMBL292707
IBUPROXAM 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL292707 |
| Name | IBUPROXAM |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BYPIURIATSUHDW-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
1
PK Parameters
20
Publications
3
Known Names
1
Indications
Molecular Properties
221.3
MW (Da)
2.49
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Rheumatic Diseases
ATC Classification
M01AE13
ibuproxam
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
Activity Summary
IC50 5 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.32 | 4.9 | 4840.0 | 4 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4840.0 | nM | 5.32 | In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells | 3669019 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 5700.0 | nM | 5.24 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Cyclooxygenase | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line | 2115586 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of 5-lipoxygenase in intact RBL-1 cell line | 2115586 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 45708.82 | nM | 4.34 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3669019 | 10.1021/jm00394a032 | Rattus norvegicus | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | Thromboxane A2 receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent noradrenaline transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Acetylcholinesterase | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Estrogen receptor | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Sodium-dependent dopamine transporter | 1 |
| 37468498 | 10.1038/s41467-023-40064-9 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| - | 10.1101/2020.04.21.054387 | SARS-CoV-2 | 1 |
| 21458999 | 10.1016/j.bmc.2011.03.011 | Caco-2 | 1 |
| 19821586 | 10.1021/jm900648x | Rattus norvegicus | 1 |
| 2115586 | 10.1021/jm00170a004 | Unchecked | 1 |
| 2115586 | 10.1021/jm00170a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine