Compound Detail
CHEMBL186099
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Basic Information
| ChEMBL ID | CHEMBL186099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMXOEWVGOVDWHT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
531.8
MW (Da)
6.24
ALogP
3
HBA
1
HBD
38.7
PSA (Ų)
0.51
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of cell division of Strongylocentrotus intermedius fertilized eggs | 12193037 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory effect on human reticulocyte 15-lipoxygenase | 15267244 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory effect on human platelet 12-lipoxygenase | 15267244 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15043436 | 10.1021/np0304621 | Unchecked | 2 |
| 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 |
| 7494145 | 10.1021/np50123a008 | Unchecked | 1 |
| 12193037 | 10.1021/np0106438 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine