Compound Detail
CHEMBL227187
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Basic Information
| ChEMBL ID | CHEMBL227187 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQSOTSIYXPYTRE-VVDPLQPHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.3
MW (Da)
2.58
ALogP
6
HBA
4
HBD
99.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of 15LOX in rabbit reticulocytes by EIA assay | 17378609 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 5900.0 | nM | 5.23 | Inhibition of 5LOX in human PBMC by EIA assay | 17378609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17378609 | 10.1021/np0605539 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 17378609 | 10.1021/np0605539 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 17378609 | 10.1021/np0605539 | Prostaglandin G/H synthase 2 | 1 |
| 24224843 | 10.1021/np400533h | Tyrosine-protein phosphatase non-receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine