Compound Detail
CHEMBL266100
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Basic Information
| ChEMBL ID | CHEMBL266100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKAKSCVNHQGCEA-MDZDMXLPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
6.22
ALogP
2
HBA
1
HBD
20.2
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2094253 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 34.0 | nM | 7.47 | Inhibition of human platelet Prostaglandin G/H synthase | 2113949 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human neutrophil 5-lipoxygenase | 2113949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2491889 | 10.1021/jm00121a021 | Cyclooxygenase | 3 |
| 2491889 | 10.1021/jm00121a021 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2491889 | 10.1021/jm00121a021 | Rattus norvegicus | 2 |
| 2113949 | 10.1021/jm00169a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2113949 | 10.1021/jm00169a010 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine