Compound Detail
CHEMBL366807
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Basic Information
| ChEMBL ID | CHEMBL366807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRNRVSVVJPXSPO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
4.02
ALogP
4
HBA
0
HBD
47.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 2100.0 | nM | 5.68 | Inhibitory activity against human recombinant Prostaglandin G/H synthase 2 expre... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00564-A | Rattus norvegicus | 3 |
| - | 10.1016/0960-894X(95)00564-A | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(95)00564-A | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(95)00564-A | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine