Compound Detail
CHEMBL59250
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Basic Information
| ChEMBL ID | CHEMBL59250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQOAJAIUXPRROV-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.16
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.11 | 6.1033 | 780.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 780.0 | nM | 6.11 | In vitro inhibition of 5-lipoxygenase from RBL-1 cells | 3172130 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 790.0 | nM | 6.1 | In vitro inhibition of 5-lipoxygenase in RBL-1 cells | 3336029 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 790.0 | nM | 6.1 | In vitro inhibition of 5-lipoxygenase from RBL-1 cells | 3172130 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3336029 | 10.1021/jm00396a002 | Rattus norvegicus | 4 |
| 3172130 | 10.1021/jm00118a016 | Unchecked | 3 |
| 3172130 | 10.1021/jm00118a016 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 3336029 | 10.1021/jm00396a002 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 3172130 | 10.1021/jm00118a016 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine