Compound Detail
CHEMBL479054
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Basic Information
| ChEMBL ID | CHEMBL479054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFPJGWIYYKYLKG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.96
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of mouse COX2 in LPS-stimulated mouse J774 cells assessed as PGE2 pro... | 18598017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18598017 | 10.1021/jm800084s | Rattus norvegicus | 4 |
| 18598017 | 10.1021/jm800084s | Mus musculus | 3 |
| 18598017 | 10.1021/jm800084s | Prostaglandin G/H synthase 1 | 1 |
| 18598017 | 10.1021/jm800084s | Prostaglandin G/H synthase 2 | 1 |
| 18598017 | 10.1021/jm800084s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine