Compound Detail
CHEMBL292413
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Basic Information
| ChEMBL ID | CHEMBL292413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVDWWXSVMQNLOI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
3.65
ALogP
3
HBA
1
HBD
73.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 51.0 | nM | 7.29 | In vitro inhibitory activity against human recombinant prostaglandin G/H synthas... | 8627608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627608 | 10.1021/jm950878e | Prostaglandin G/H synthase 2 | 1 |
| 8627608 | 10.1021/jm950878e | Prostaglandin G/H synthase 1 | 1 |
| 8627608 | 10.1021/jm950878e | Rattus norvegicus | 1 |
| 8627608 | 10.1021/jm950878e | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine