Compound Detail
CHEMBL282524
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Basic Information
| ChEMBL ID | CHEMBL282524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HEVNATFMGRLJPZ-DFBJGRDBSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
4.49
ALogP
5
HBA
1
HBD
64.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.19
IC50 1 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 CHEMBL5645 | Ki | 6.19 | 5.9267 | 650.0 | 3 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Leukotriene B4 receptor 1 CHEMBL3911 | Ki | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cysteinyl leukotriene receptor 1 | Ki | = | 650.0 | nM | 6.19 | Inhibition of [3H]LTD4 binding to LTD4 receptor in guinea pig lung membranes | - |
| Cysteinyl leukotriene receptor 1 | Ki | = | 1600.0 | nM | 5.8 | In vitro inhibitory activity against human leukotriene D4 (LTD4) | - |
| Cysteinyl leukotriene receptor 1 | Ki | = | 1640.0 | nM | 5.79 | Compound was tested for the inhibition of [3H]leukotriene D4 binding to LTD4 rec... | - |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemia cells | - |
| Leukotriene B4 receptor 1 | Ki | = | 38000.0 | nM | 4.42 | In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00225-I | Cavia porcellus | 3 |
| - | 10.1016/0960-894X(95)00226-J | No relevant target | 2 |
| - | 10.1016/0960-894X(95)00225-I | Cysteinyl leukotriene receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00225-I | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/0960-894X(95)00135-G | Cysteinyl leukotriene receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00135-G | Leukotriene B4 receptor 1 | 1 |
| - | 10.1016/0960-894X(95)00226-J | Cysteinyl leukotriene receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine