Compound Detail
CHEMBL295829
OXAMETACIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL295829 |
| Name | OXAMETACIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AJRNYCDWNITGHF-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
4
Known Names
1
Indications
Molecular Properties
372.8
MW (Da)
3.35
ALogP
5
HBA
2
HBD
80.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Rheumatic Diseases
ATC Classification
M01AB13
oxametacin
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 5.96 | 5.96 | 1100.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.12 | 5.12 | 7500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 1100.0 | nM | 5.96 | Tested for inhibition of cyclooxygenase (ARBC) in calcium-stimulated rat basophi... | - |
| Cyclooxygenase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of Prostaglandin G/H synthase in intact RBL-1 cell line | 2115586 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thr... | 17994684 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7500.0 | nM | 5.12 | Tested for inhibition of 5-Lipoxygenase (ARBL) in calcium-stimulated rat basophi... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of 5-lipoxygenase in intact RBL-1 cell line | 2115586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994684 | 10.1021/jm0611861 | Prostaglandin G/H synthase 1 | 4 |
| 2115586 | 10.1021/jm00170a004 | Rattus norvegicus | 2 |
| 17994684 | 10.1021/jm0611861 | Prostaglandin G/H synthase 2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1016/S0960-894X(00)80450-3 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(00)80450-3 | Cyclooxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Cyclooxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2115586 | 10.1021/jm00170a004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine