Compound Detail
CHEMBL18394
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Basic Information
| ChEMBL ID | CHEMBL18394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBJUFUHYFMGSJB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
5.31
ALogP
3
HBA
1
HBD
42.6
PSA (Ų)
0.69
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 12.0 | nM | 7.92 | Concentration required for 50 % inhibition of leukotriene B4 production in human... | 2542553 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 140.0 | nM | 6.85 | Concentration required for 50 % inhibition of arachidonic acid oxidation by rat ... | 2542553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2542553 | 10.1021/jm00126a008 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2542553 | 10.1021/jm00126a008 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine