Compound Detail
CHEMBL2163383
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Basic Information
| ChEMBL ID | CHEMBL2163383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBSOLSPFUMNRLB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.53
ALogP
7
HBA
0
HBD
90.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.85 | 4.985 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of human recombinant 5-LOX expressed in Escherichia coli BL2-DE3 incu... | 22380511 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of human 5-LOX in A23187-induced human whole blood assessed as reduct... | 22380511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22380511 | 10.1021/jm201497k | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 22380511 | 10.1021/jm201497k | Leukotriene A-4 hydrolase | 1 |
Data from ChEMBL 36 via Core Engine