Compound Detail
CHEMBL417379
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Basic Information
| ChEMBL ID | CHEMBL417379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGJUOAWVGROTMW-ONEGZZNKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.8
MW (Da)
4.83
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Cyclooxygenase CHEMBL2094253 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 170.0 | nM | 6.77 | Inhibition of human neutrophil 5-lipoxygenase | 2113949 |
| Cyclooxygenase | IC50 | = | 750.0 | nM | 6.12 | Inhibition of human platelet Prostaglandin G/H synthase | 2113949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2113949 | 10.1021/jm00169a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2113949 | 10.1021/jm00169a010 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine