Compound Detail
CHEMBL116078
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Basic Information
| ChEMBL ID | CHEMBL116078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFNZMNFJCNDFPK-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
4.25
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.4 | 5.896 | 400.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6.0 | nM | 8.22 | Inhibition of 5-lipoxygenase from rat basophilic leukemia(RBL-1) cells | - |
| Rattus norvegicus | IC50 | = | 400.0 | nM | 6.4 | Inhibitory activity against peroxidation of rat cardiac membrane liposomes | - |
| Rattus norvegicus | IC50 | = | 400.0 | nM | 6.4 | Inhibition of the superoxide-dependent, iron promoted peroxidation of rat cardia... | - |
| Rattus norvegicus | IC50 | = | 600.0 | nM | 6.22 | Inhibition of LTB4 biosynthesis in ionophore-stimulated rat peritoneal macrophag... | - |
| Rattus norvegicus | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of LTB4 biosynthesis in human neutrophils | - |
| Rattus norvegicus | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of PGE-2 biosynthesis in ionophore stimulated rat peritoneal macropha... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80140-2 | Rattus norvegicus | 10 |
| - | 10.1016/S0960-894X(01)80140-2 | Mus musculus | 4 |
| - | 10.1016/S0960-894X(01)80140-2 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(01)80140-2 | Mononuclear cell line | 1 |
| - | 10.1016/S0960-894X(01)80140-2 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine