Compound Detail
CHEMBL5591853
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Basic Information
| ChEMBL ID | CHEMBL5591853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USUXTOMOJXDWFB-MKMNVTDBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
1.49
ALogP
6
HBA
1
HBD
90.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.39 | 5.39 | 4080.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.16 | 5.16 | 6920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of human COX-2 by colorimetric assay | 38219658 |
| Unchecked | IC50 | = | 4080.0 | nM | 5.39 | Inhibition of soybean 15-LOX | 38219658 |
| Prostaglandin G/H synthase 1 | IC50 | = | 6920.0 | nM | 5.16 | Inhibition of ovine COX-1 by colorimetric assay | 38219658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38219658 | 10.1016/j.ejmech.2024.116138 | Unchecked | 2 |
| 38219658 | 10.1016/j.ejmech.2024.116138 | Prostaglandin G/H synthase 1 | 1 |
| 38219658 | 10.1016/j.ejmech.2024.116138 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine