Compound Detail
CHEMBL5591112
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Basic Information
| ChEMBL ID | CHEMBL5591112 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAJVVLFHGVHUPC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
5.21
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of human COX-2 by colorimetric assay | 38219659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 1 | 2 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 2 | 2 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine