Compound Detail
CHEMBL275664
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Basic Information
| ChEMBL ID | CHEMBL275664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOCDFDQSDXQOHR-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
378.8
MW (Da)
2.92
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 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 | 6.365 | 110.0 | 4 |
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 | = | 110.0 | nM | 6.96 | Inhibition of COX-2 (unknown origin) expressed in CHO cells | 30396033 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory concentration was measured against Prostaglandin G/H synthase 2 in hu... | 12643942 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of COX2 in human whole blood assessed as reduction in PGE2 formation ... | 30909021 |
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 |
| 12643942 | 10.1016/s0960-894x(03)00046-5 | Rattus norvegicus | 1 |
| 30396033 | 10.1016/j.ejmech.2018.10.054 | Prostaglandin G/H synthase 2 | 1 |
| 30909021 | 10.1016/j.ejmech.2019.03.021 | Prostaglandin G/H synthase 2 | 1 |
| 30909021 | 10.1016/j.ejmech.2019.03.021 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine