Compound Detail
CHEMBL528045
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Basic Information
| ChEMBL ID | CHEMBL528045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZLBHGBBHNHZNS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
332.8
MW (Da)
3.88
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human platelet-type N-terminally His6-tagged 12-lipoxygenase asses... | 21739938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 21739938 | 10.1021/jm2005089 | Unchecked | 3 |
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 3 |
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 21739938 | 10.1021/jm2005089 | Polyunsaturated fatty acid lipoxygenase ALOX15B | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
Data from ChEMBL 36 via Core Engine