Compound Detail
CHEMBL340418
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Basic Information
| ChEMBL ID | CHEMBL340418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWTFLDJHWKPIDX-XBXARRHUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
3.30
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.12 | 7.12 | 76.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.73 | 4.73 | 18600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 76.0 | nM | 7.12 | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | 8254620 |
| Unchecked | IC50 | = | 18600.0 | nM | 4.73 | Inhibition of LPS stimulated TNF alpha production in Balb/c mouse peritoneal mac... | 32361286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32361286 | 10.1016/j.ejmech.2020.112280 | Unchecked | 2 |
| 8254620 | 10.1021/jm00076a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8254620 | 10.1021/jm00076a019 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine