Compound Detail
CHEMBL79109
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Basic Information
| ChEMBL ID | CHEMBL79109 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLZGGHLWUGQQKR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
4.09
ALogP
5
HBA
6
HBD
114.2
PSA (Ų)
0.13
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.71 | 5.71 | 1950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 1950.0 | nM | 5.71 | In vitro inhibitory activity of compound on rabbit reticulocyte 15-lipoxygenase | 12852938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852938 | 10.1016/s0960-894x(03)00528-6 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 2 |
Data from ChEMBL 36 via Core Engine