Compound Detail
CHEMBL460444
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Basic Information
| ChEMBL ID | CHEMBL460444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUGSAWFPXQSLMJ-LTKCOYKYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
322.5
MW (Da)
5.78
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2860 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachi... | 11421736 |
| Prostaglandin G/H synthase 1 | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arach... | 11421736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11421736 | 10.1021/np000620d | Unchecked | 1 |
| 11421736 | 10.1021/np000620d | Prostaglandin G/H synthase 2 | 1 |
| 11421736 | 10.1021/np000620d | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine