Compound Detail
CHEMBL475350
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Basic Information
| ChEMBL ID | CHEMBL475350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWEZADQPZOJSED-MJBXVCDLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.01
ALogP
4
HBA
1
HBD
53.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of ovine COX2 | 18835505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18835505 | 10.1016/j.ejmech.2008.08.008 | Prostaglandin G/H synthase 2 | 3 |
| 18835505 | 10.1016/j.ejmech.2008.08.008 | Prostaglandin G/H synthase 1 | 2 |
Data from ChEMBL 36 via Core Engine