Compound Detail
CHEMBL224136
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Basic Information
| ChEMBL ID | CHEMBL224136 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YALPORKUDWSYAM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.2
MW (Da)
3.55
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated... | 15615524 |
| Prostaglandin G/H synthase 1 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionoph... | 15615524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615524 | 10.1021/jm049480l | Rattus norvegicus | 3 |
| 15615524 | 10.1021/jm049480l | No relevant target | 2 |
| 15615524 | 10.1021/jm049480l | Prostaglandin G/H synthase 1 | 1 |
| 15615524 | 10.1021/jm049480l | Prostaglandin G/H synthase 2 | 1 |
| 15615524 | 10.1021/jm049480l | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine