Compound Detail
CHEMBL418775
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Basic Information
| ChEMBL ID | CHEMBL418775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKFAORJTGGBEFO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.00
ALogP
7
HBA
1
HBD
88.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 8.05 | 7.285 | 9.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 9.0 | nM | 8.05 | Compound was evaluated for production of leukotriene B4 in Ca+2 -ionophore -acti... | 9288168 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of oxidation of arachidonic acid by human 5-Lipoxygenase using spectr... | 9288168 |
| Homo sapiens | IC50 | = | 300.0 | nM | 6.52 | Compound was evaluated for production of leukotriene B4 in human whole blood (HW... | 9288168 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9288168 | 10.1021/jm970046b | Homo sapiens | 2 |
| 9288168 | 10.1021/jm970046b | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine