Compound Detail
CHEMBL279268
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Basic Information
| ChEMBL ID | CHEMBL279268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQDKPQRAGXTOIK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.8
MW (Da)
3.06
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.96 | 6.31 | 110.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.09 | 4.09 | 81000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibitory of human Prostaglandin G/H synthase 2 expressed in CHO cells. | 12643942 |
| Prostaglandin G/H synthase 2 | IC50 | = | 2200.0 | nM | 5.66 | Inhibitory concentration was measured against Prostaglandin G/H synthase 2 in hu... | 12643942 |
| Prostaglandin G/H synthase 1 | IC50 | = | 81000.0 | nM | 4.09 | Inhibitory concentration was measured against Prostaglandin G/H synthase 1 in th... | 12643942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643942 | 10.1016/s0960-894x(03)00046-5 | Prostaglandin G/H synthase 2 | 2 |
| 12643942 | 10.1016/s0960-894x(03)00046-5 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine