Compound Detail
CHEMBL1929094
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Basic Information
| ChEMBL ID | CHEMBL1929094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXAFZMDWBSYVLT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.57
ALogP
5
HBA
1
HBD
72.6
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 4.21 | 4.21 | 62000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 62000.0 | nM | 4.21 | Inhibition of 5-LOX assessed as decrease in oxygen concentration using arachidon... | 22118829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22118829 | 10.1016/j.ejmech.2011.11.003 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 22118829 | 10.1016/j.ejmech.2011.11.003 | COLO 205 | 1 |
| 22118829 | 10.1016/j.ejmech.2011.11.003 | HepG2 | 1 |
| 22118829 | 10.1016/j.ejmech.2011.11.003 | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine