Compound Detail
CHEMBL149278
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Basic Information
| ChEMBL ID | CHEMBL149278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATCDQXHPIGQADP-CMDGGOBGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
5.45
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.80
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against cyclooxygenase in rat basophilic leukemia cells usin... | 1847426 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2700.0 | nM | 5.57 | Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells | 1847426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1847426 | 10.1021/jm00106a006 | Rattus norvegicus | 2 |
| 1847426 | 10.1021/jm00106a006 | Cyclooxygenase | 1 |
| 1847426 | 10.1021/jm00106a006 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine