Compound Detail
CHEMBL3109719
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Basic Information
| ChEMBL ID | CHEMBL3109719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIOAGECGFRAAQT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
2.78
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.55 | 5.86 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 280.0 | nM | 6.55 | Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using ar... | 23871907 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6700.0 | nM | 5.17 | Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubate... | 23871907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23871907 | 10.1016/j.ejmech.2013.06.039 | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
| 23871907 | 10.1016/j.ejmech.2013.06.039 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 23871907 | 10.1016/j.ejmech.2013.06.039 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
Data from ChEMBL 36 via Core Engine