Compound Detail
CHEMBL17158
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Basic Information
| ChEMBL ID | CHEMBL17158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZQNFQCZKXEYMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
5.27
ALogP
3
HBA
2
HBD
61.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against interleukin-1 (IL-1) synthesis, using intact human m... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3100.0 | nM | 5.51 | Inhibitory activity against 5-lipoxygenase enzyme from RBL-1 cells | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00189-Z | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine