Compound Detail
CHEMBL5594504
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Basic Information
| ChEMBL ID | CHEMBL5594504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USCLPEOPODGVER-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
3.54
ALogP
6
HBA
1
HBD
92.4
PSA (Ų)
0.31
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 6.4 | nM | 8.19 | Inhibition of COX-2 (unknown origin) by Enzyme immune assay | 37862815 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37862815 | 10.1016/j.ejmech.2023.115866 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine