Compound Detail
CHEMBL5440850
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Basic Information
| ChEMBL ID | CHEMBL5440850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REOGJIPYECIRJK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
5.99
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1770.0 | nM | 5.75 | Inhibition of 5-LOX (unknown orgin) using arachidonic acid as substrate incubate... | 37591315 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37591315 | 10.1016/j.bmcl.2023.129448 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 37591315 | 10.1016/j.bmcl.2023.129448 | Albumin | 1 |
| 37591315 | 10.1016/j.bmcl.2023.129448 | ADMET | 1 |
| 37591315 | 10.1016/j.bmcl.2023.129448 | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine