Compound Detail
CHEMBL499069
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Basic Information
| ChEMBL ID | CHEMBL499069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COKDBCCJSNVXKO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.91
ALogP
3
HBA
1
HBD
59.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 10.7 | 10.7 | 0.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 10.7 | 10.7 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 0.02 | nM | 10.7 | Inhibition of COX2 | 17714833 |
| Prostaglandin G/H synthase 2 | IC50 | = | 0.02 | nM | 10.7 | Inhibition of COX2 | 17714833 |
| Prostaglandin G/H synthase 2 | IC50 | = | 0.01995 | nM | 10.7 | Inhibition of COX2 in Mus musculus (mouse) peritoneal macrophage | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17714833 | 10.1016/j.ejmech.2007.06.022 | Prostaglandin G/H synthase 2 | 2 |
| 22560838 | 10.1016/j.bmc.2012.04.022 | Unchecked | 1 |
| 22560838 | 10.1016/j.bmc.2012.04.022 | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1007/s00044-008-9117-0 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine