Compound Detail
CHEMBL4301351
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Basic Information
| ChEMBL ID | CHEMBL4301351 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSYSVXKJIVUNBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
471.7
MW (Da)
3.23
ALogP
6
HBA
4
HBD
85.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of 15-LOX (unknown origin) | 38171251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38171251 | 10.1016/j.bmc.2023.117564 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
Data from ChEMBL 36 via Core Engine