Compound Detail
CHEMBL417968
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Basic Information
| ChEMBL ID | CHEMBL417968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYIBMMJUKQOSPL-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
4.24
ALogP
4
HBA
1
HBD
65.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2000.0 | nM | 5.7 | The compound was tested for inhibitory activity against 5-lipoxygenase in rat po... | 1635053 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2400.0 | nM | 5.62 | Ability to inhibit 5-lipoxygenase in guinea pig | 3669017 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3669017 | 10.1021/jm00394a026 | Cavia porcellus | 11 |
| 3669017 | 10.1021/jm00394a026 | Cysteinyl leukotriene receptor | 3 |
| 1635053 | 10.1021/jm00092a001 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 3669017 | 10.1021/jm00394a026 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 3669017 | 10.1021/jm00394a026 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine