Compound Detail
CHEMBL186752
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O=C(N/C=C/c1ccc(O)c(Br)c1)/C(Cc1cc(Br)c(O)c(Oc2c(Br)cc(C/C(=N\O)C(=O)NCCc3ccc(O)c(Br)c3)cc2Br)c1)=N/O
Basic Information
| ChEMBL ID | CHEMBL186752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEMHQNZDQDVJJD-DCESRVADSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1019.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.23 | 4.23 | 59000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 400.0 | nM | 6.4 | Inhibitory effect on human platelet 12-lipoxygenase | 15267244 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory effect on human reticulocyte 15-lipoxygenase | 15267244 |
| Unchecked | IC50 | = | 59000.0 | nM | 4.23 | Inhibitory effect on soybean 15-lipoxygenase | 15267244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15267244 | 10.1021/jm049872s | No relevant target | 1 |
| 15267244 | 10.1021/jm049872s | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 15267244 | 10.1021/jm049872s | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 15267244 | 10.1021/jm049872s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine