Compound Detail
CHEMBL54429
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Basic Information
| ChEMBL ID | CHEMBL54429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFFSFKBOYIWQLV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.31
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 12-lipoxygenase CHEMBL2741 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 12-lipoxygenase | IC50 | = | 1500.0 | nM | 5.82 | In vitro inhibition of rat platelet 12-lipoxygenase | 2502629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2502629 | 10.1021/jm00128a027 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2502629 | 10.1021/jm00128a027 | Arachidonate 12-lipoxygenase | 1 |
| 2502629 | 10.1021/jm00128a027 | Cyclooxygenase | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine