Compound Detail
CHEMBL4463974
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Basic Information
| ChEMBL ID | CHEMBL4463974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOZCXBPUVVQDLR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.77
ALogP
5
HBA
1
HBD
70.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.64 | 6.64 | 229.0 | 2 |
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | IC50 | 6.64 | 6.64 | 229.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 229.0 | nM | 6.64 | Inhibition of recombinant human 5-LOX expressed in baculovirus-infected insect c... | 31331653 |
| Cysteinyl leukotriene receptor 1 | IC50 | = | 229.0 | nM | 6.64 | Inhibition of guinea pig leukotriene D4 | 36731273 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 229.0 | nM | 6.64 | Inhibition of recombinant 5-LOX (unknown origin) using H2DCFDA as substrate by m... | 36731273 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31331653 | 10.1016/j.bmc.2019.06.040 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 36731273 | 10.1016/j.ejmech.2023.115151 | Cysteinyl leukotriene receptor 1 | 1 |
| 36731273 | 10.1016/j.ejmech.2023.115151 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine