Compound Detail
CHEMBL146439
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Basic Information
| ChEMBL ID | CHEMBL146439 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLTCCDHHWYAMCG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
4.42
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2993 | IC50 | 5.59 | 5.59 | 2570.4 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.12 | 5.07 | 7500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 2570.4 | nM | 5.59 | Inhibitory effect on Monoamine oxidase B, SD on IC50 values < 10% | 11123983 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7500.0 | nM | 5.12 | Inhibition of 5-LOX | 22537178 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 9500.0 | nM | 5.02 | Inhibition of LOX5 in human whole blood assessed as inhibition of conversion of ... | 19561619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] A | 1 |
| 11123983 | 10.1021/jm001028o | Amine oxidase [flavin-containing] B | 1 |
| 19561619 | 10.1038/nchembio.188 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 22537178 | 10.1021/jm300288g | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine