Compound Detail
CHEMBL3113374
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Basic Information
| ChEMBL ID | CHEMBL3113374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAKPIAPBLDELKX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.4
MW (Da)
5.12
ALogP
5
HBA
3
HBD
91.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 5.6 | 5.3667 | 2500.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 2500.0 | nM | 5.6 | UV-vis cuvette-based assay: UV-vis cuvette-based assay. | - |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic aci... | 24393039 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 5600.0 | nM | 5.25 | UV-vis cuvette-based assay: UV-vis cuvette-based assay. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24393039 | 10.1021/jm4016476 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 24393039 | 10.1021/jm4016476 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine