Compound Detail
CHEMBL4457977
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Basic Information
| ChEMBL ID | CHEMBL4457977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJPFPNIOAZVDML-QGMBQPNBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.2
MW (Da)
3.37
ALogP
3
HBA
2
HBD
72.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of rat 5-LOX expressed in insect sf21 cells preincubated for 4 mins f... | 31331653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31331653 | 10.1016/j.bmc.2019.06.040 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine