Compound Detail
CHEMBL318809
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Basic Information
| ChEMBL ID | CHEMBL318809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKIAJUVGDUYASS-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.19
ALogP
6
HBA
3
HBD
105.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 CHEMBL3911 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.62 | 4.5 | 24000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leukotriene B4 receptor 1 | IC50 | = | 30.0 | nM | 7.52 | Tested for inhibitory activity against leukotriene B4 (LTB4) receptor in human n... | 7932529 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 210.0 | nM | 6.68 | Tested for inhibitory activity against 5-lipoxygenase in microsome of RBL-1 cell... | 7932529 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 230.0 | nM | 6.64 | Inhibitory concentration against arachidonate 5-lipoxygenase | 16220969 |
| Homo sapiens | IC50 | = | 24000.0 | nM | 4.62 | Tested for inhibitory activity against the production of leukotriene B4 (LTB4) i... | 7932529 |
| Homo sapiens | IC50 | = | 42000.0 | nM | 4.38 | Tested for inhibitory activity against the production of thromboxane B2 (TXB2) i... | 7932529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932529 | 10.1021/jm00045a011 | Unchecked | 4 |
| 7932529 | 10.1021/jm00045a011 | Homo sapiens | 3 |
| 7932529 | 10.1021/jm00045a011 | Leukotriene B4 receptor 1 | 1 |
| 7932529 | 10.1021/jm00045a011 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 16220969 | 10.1021/jm058225d | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine