Compound Detail
CHEMBL502554
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Basic Information
| ChEMBL ID | CHEMBL502554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLZWWUMOLYNALY-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
426.3
MW (Da)
5.67
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 9.43 | 9.43 | 0.4 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 9.43 | 9.43 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 0.37 | nM | 9.43 | Inhibition of COX2 | 17714833 |
| Prostaglandin G/H synthase 2 | IC50 | = | 0.3698 | nM | 9.43 | Inhibition of COX2 | 17714833 |
| Prostaglandin G/H synthase 2 | IC50 | = | 0.3715 | nM | 9.43 | 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 |
| - | 10.1007/s00044-008-9117-0 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine