Compound Detail
CHEMBL180979
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Basic Information
| ChEMBL ID | CHEMBL180979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNJNRMPSBIKAMA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.36
ALogP
3
HBA
2
HBD
71.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 5.96 | 5.89 | 1090.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 1090.0 | nM | 5.96 | Inhibitory concentration against rabbit reticulocyte 15-lipoxygenase with substr... | 15713402 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 1500.0 | nM | 5.82 | Inhibitory concentration against isolated rabbit reticulocyte 15-lipoxygenase me... | 15713402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713402 | 10.1016/j.bmcl.2004.12.081 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 2 |
Data from ChEMBL 36 via Core Engine