Compound Detail
CHEMBL1163875
PUUPEHEDIONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1163875 |
| Name | PUUPEHEDIONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLFLHSQZFRDPFM-YYWHXJBOSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.29
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.82 | 5.61 | 1500.0 | 2 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1500.0 | nM | 5.82 | Selectivity ratio of IC50 for human reticulocyte 15-lipoxygenase to IC50 for hum... | 19848434 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Selectivity ratio of IC50 for human platelet 12-lipoxygenase to IC50 for human 5... | 19848434 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of human N-terminal His6-tagged 5-lipoxygenase arachidonic acid by UV... | 19848434 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human reticulocyte N-terminal His6-tagged 15-lipoxygenase by UV-vi... | 19848434 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of human platelet N-terminal His6-tagged 12-lipoxygenase by UV-vis sp... | 19848434 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19848434 | 10.1021/np900465e | Unchecked | 2 |
| 19848434 | 10.1021/np900465e | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 19848434 | 10.1021/np900465e | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 19848434 | 10.1021/np900465e | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
Data from ChEMBL 36 via Core Engine