Compound Detail
CHEMBL58979
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Basic Information
| ChEMBL ID | CHEMBL58979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MEPIXXCKHVKBIS-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
4.24
ALogP
2
HBA
1
HBD
20.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 45.0 | nM | 7.35 | Inhibition of human neutrophil 5-lipoxygenase | 2113949 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2113949 | 10.1021/jm00169a010 | Cyclooxygenase | 3 |
| 2113949 | 10.1021/jm00169a010 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2113949 | 10.1021/jm00169a010 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine