Compound Detail
CHEMBL69197
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Basic Information
| ChEMBL ID | CHEMBL69197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XHLMYDVGYNUWBV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.69
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL3331 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 680.0 | nM | 6.17 | In vitro inhibitory activity against prostaglandin G/H synthase 2 (COX-2) | 14584938 |
| Prostaglandin G/H synthase 2 | IC50 | = | 680.0 | nM | 6.17 | In vitro inhibition against ovine Prostaglandin G/H synthase 2 | 12798335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584938 | 10.1021/jm0302391 | Rattus norvegicus | 4 |
| 12798335 | 10.1016/s0960-894x(03)00391-3 | Prostaglandin G/H synthase 1 | 2 |
| 14584938 | 10.1021/jm0302391 | Prostaglandin G/H synthase 1 | 1 |
| 14584938 | 10.1021/jm0302391 | Prostaglandin G/H synthase 2 | 1 |
| 14584938 | 10.1021/jm0302391 | Prostaglandin G/H synthase (cyclooxygenase) | 1 |
| 12798335 | 10.1016/s0960-894x(03)00391-3 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine