Compound Detail
CHEMBL1796843
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Basic Information
| ChEMBL ID | CHEMBL1796843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWMBQCSPTRZEOP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.85
ALogP
6
HBA
2
HBD
100.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
11
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 lipoxygenase ALOX15 CHEMBL4358 | IC50 | 7.92 | 7.555 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of rabbit 15-LO using linoleic acid by standard colorimetric assay | 21696952 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 65.0 | nM | 7.19 | Inhibition of rabbit 15-LO using arachidonic acid by standard colorimetric assay | 21696952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21696952 | 10.1016/j.bmcl.2011.05.107 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 3 |
Data from ChEMBL 36 via Core Engine