Compound Detail
CHEMBL5269531
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Basic Information
| ChEMBL ID | CHEMBL5269531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJJLIEBQDWVQAF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.01
ALogP
9
HBA
0
HBD
97.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human COX-2 using arachidonic acid as substrate preincubated for 1... | 35685617 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35685617 | 10.1039/d1md00280e | Rattus norvegicus | 2 |
| 35685617 | 10.1039/d1md00280e | Unchecked | 1 |
| 35685617 | 10.1039/d1md00280e | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine