Compound Detail
CHEMBL282904
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Basic Information
| ChEMBL ID | CHEMBL282904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXMJGXWIWGTRJM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
6.31
ALogP
6
HBA
2
HBD
88.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 3.0 | % | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 37.0 | nM | 7.43 | Inhibitory activity against Leukotriene B4 receptor in human PMN | 1313879 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 50.0 | nM | 7.3 | Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenas... | 1313879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1313879 | 10.1021/jm00085a019 | Rattus norvegicus | 5 |
| 1313879 | 10.1021/jm00085a019 | Unchecked | 1 |
| 1313879 | 10.1021/jm00085a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1313879 | 10.1021/jm00085a019 | Canis familiaris | 1 |
| 1313879 | 10.1021/jm00085a019 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine