Compound Detail
CHEMBL76884
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Basic Information
| ChEMBL ID | CHEMBL76884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXEAXPIXEHZBRM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.63
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.7 | 5.675 | 2010.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2010.0 | nM | 5.7 | In vitro for inhibition of 5-HETE production in isolated rat polymorphonuclear l... | 2878078 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2240.0 | nM | 5.65 | In vitro for inhibition of LTB4 (leukotriene B4) production in isolated rat poly... | 2878078 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2878078 | 10.1021/jm00161a031 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2878078 | 10.1021/jm00161a031 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine