Compound Detail
CHEMBL166863
POLMACOXIB 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL166863 |
| Name | POLMACOXIB |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | IJWPAFMIFNSIGD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
3
Known Names
4
Indications
3
Mechanisms
Molecular Properties
361.4
MW (Da)
2.72
ALogP
4
HBA
1
HBD
86.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Cyclooxygenase-2 inhibitor | INHIBITOR | Prostaglandin G/H synthase 2 | ✓ | ✓ |
| Carbonic anhydrase II inhibitor | INHIBITOR | Carbonic anhydrase 2 | ✓ | ✓ |
| Carbonic anhydrase I inhibitor | INHIBITOR | Carbonic anhydrase 1 | ✓ | ✓ |
Indications
Osteoarthritis Osteoarthritis, Hip Rheumatic Diseases Osteoarthritis, Knee
ATC Classification
M01AH07
polmacoxib
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2649 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of COX-1 in LPS-induced mouse peritoneal macrophages | 30396033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14761182 | 10.1021/jm020545z | Rattus norvegicus | 5 |
| 14761182 | 10.1021/jm020545z | Prostaglandin G/H synthase 2 | 1 |
| 14761182 | 10.1021/jm020545z | Prostaglandin G/H synthase 1 | 1 |
| 14761182 | 10.1021/jm020545z | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| 30396033 | 10.1016/j.ejmech.2018.10.054 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine