Compound Detail
CHEMBL378602
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Basic Information
| ChEMBL ID | CHEMBL378602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDUWSCQCOXYEBD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
4.11
ALogP
3
HBA
2
HBD
55.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 4.73 | 4.73 | 18800.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 4.51 | 4.51 | 30700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 18800.0 | nM | 4.73 | Inhibition of 15-hLO | 16480270 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 30700.0 | nM | 4.51 | Inhibition of 12-hLO | 16480270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480270 | 10.1021/jm050639j | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 16480270 | 10.1021/jm050639j | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 16480270 | 10.1021/jm050639j | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine