Compound Detail
CHEMBL504535
IMRECOXIB Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL504535 |
| Name | IMRECOXIB |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | AXMZZGKKZDJGAZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
2
Known Names
1
Indications
Molecular Properties
369.5
MW (Da)
3.56
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Osteoarthritis, Knee
Activity Summary
IC50 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 7.75 | 7.75 | 18.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2649 | IC50 | 6.94 | 6.94 | 115.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of COX2 in mouse peritoneal macrophages | 19286379 |
| Prostaglandin G/H synthase 2 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of LPS-induced COX-2 in peritoneal macrophage of C57BL/J6 mouse asses... | 24629448 |
| Prostaglandin G/H synthase 1 | IC50 | = | 115.0 | nM | 6.94 | Inhibition of COX1 in mouse peritoneal macrophages | 19286379 |
| Prostaglandin G/H synthase 1 | IC50 | = | 115.0 | nM | 6.94 | Inhibition of calcimycin-induced COX-1 in peritoneal macrophage of C57BL/J6 mous... | 24629448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Rattus norvegicus | 4 |
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Unchecked | 1 |
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Prostaglandin G/H synthase 2 | 1 |
| 19286379 | 10.1016/j.bmcl.2009.02.090 | Prostaglandin G/H synthase 1 | 1 |
| 24629448 | 10.1016/j.bmc.2014.02.017 | Prostaglandin G/H synthase 2 | 1 |
| 24629448 | 10.1016/j.bmc.2014.02.017 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine