Compound Detail
CHEMBL1796832
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Basic Information
| ChEMBL ID | CHEMBL1796832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASWWVLXHCVZUCZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
4.65
ALogP
4
HBA
2
HBD
84.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 5.4 | 5.4 | 3980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 3980.0 | nM | 5.4 | Inhibition of rabbit 15-LO using linoleic 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