Compound Detail
CHEMBL391079
DYSIDENIN Enter ChEMBL ID:
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C[C@H](NC(=O)[C@H](C[C@H](C)C(Cl)(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)(Cl)Cl)c1nccs1
Basic Information
| ChEMBL ID | CHEMBL391079 |
| Name | DYSIDENIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFVRAKVNXYQMID-BJDJZHNGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
546.2
MW (Da)
5.94
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.41
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL2903 | Ki | 5.1 | 5.1 | 8000.0 | 1 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 CHEMBL3687 | Ki | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | Ki | = | 8000.0 | nM | 5.1 | Inhibition of human 15-hLO1 | 17826100 |
| Polyunsaturated fatty acid lipoxygenase ALOX12 | Ki | = | 9000.0 | nM | 5.05 | Inhibition of human 12-hLO | 17826100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17826100 | 10.1016/j.bmc.2007.08.015 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 1 |
| 17826100 | 10.1016/j.bmc.2007.08.015 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 1 |
| 17826100 | 10.1016/j.bmc.2007.08.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine