Compound Detail
CHEMBL2115381
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Basic Information
| ChEMBL ID | CHEMBL2115381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIRQROBVKNWIIW-LWMIZPGFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
5.31
ALogP
6
HBA
3
HBD
96.2
PSA (Ų)
0.18
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 5.37 | 5.2 | 4300.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4.3 | nM | 8.37 | Reduction of lipid peroxide formed in rat brain homogenates. | 1992126 |
| Rattus norvegicus | IC50 | = | 4300.0 | nM | 5.37 | Inhibition of lipid peroxidation was determined with rat brain tissue homogenate... | 3351858 |
| Rattus norvegicus | IC50 | = | 6000.0 | nM | 5.22 | The IC50 value was measured for inhibition of lipid autoxidation in rat brain ho... | 7636848 |
| Rattus norvegicus | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of lipid peroxidation was determined with rat brain tissue homogenate... | 3351858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3351858 | 10.1021/jm00399a019 | Rattus norvegicus | 33 |
| 1578489 | 10.1021/jm00087a017 | Rattus norvegicus | 14 |
| 1578489 | 10.1021/jm00087a017 | Cavia porcellus | 6 |
| 1992126 | 10.1021/jm00105a042 | Thromboxane-A synthase | 3 |
| 1992126 | 10.1021/jm00105a042 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 1992126 | 10.1021/jm00105a042 | Rattus norvegicus | 2 |
| 2066988 | 10.1021/jm00111a034 | Rattus norvegicus | 2 |
| 1992126 | 10.1021/jm00105a042 | RBL-1 | 1 |
| 2066988 | 10.1021/jm00111a034 | ADMET | 1 |
| 7636848 | 10.1021/jm00015a010 | Rattus norvegicus | 1 |
| 7636848 | 10.1021/jm00015a010 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine