Compound Detail
CHEMBL178613
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Basic Information
| ChEMBL ID | CHEMBL178613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCHUPXVBZHHWIT-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
5.41
ALogP
3
HBA
2
HBD
75.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 8.0 | 7.555 | 10.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration against isolated rabbit reticulocyte 15-lipoxygenase me... | 15713402 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 78.0 | nM | 7.11 | Inhibitory concentration against rabbit reticulocyte 15-lipoxygenase with substr... | 15713402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713402 | 10.1016/j.bmcl.2004.12.081 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 2 |
| 15713402 | 10.1016/j.bmcl.2004.12.081 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 15713402 | 10.1016/j.bmcl.2004.12.081 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine