Compound Detail
CHEMBL139591
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Basic Information
| ChEMBL ID | CHEMBL139591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RULFVHVCCYMYFH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
5.55
ALogP
2
HBA
1
HBD
33.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 7.38 | 7.38 | 42.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2649 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 42.0 | nM | 7.38 | Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages | 11101350 |
| Prostaglandin G/H synthase 2 | IC50 | = | 42.07 | nM | 7.38 | Inhibition of mouse macrophage COX2 | 18023931 |
| Prostaglandin G/H synthase 1 | IC50 | = | 500.0 | nM | 6.3 | Inhibition against prostaglandin G/H synthase 1 from mouse resident macrophages | 11101350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11101350 | 10.1021/jm990965x | Prostaglandin G/H synthase 2 | 1 |
| 11101350 | 10.1021/jm990965x | Prostaglandin G/H synthase 1 | 1 |
| 18023931 | 10.1016/j.ejmech.2007.09.028 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine