Compound Detail
CHEMBL235069
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Basic Information
| ChEMBL ID | CHEMBL235069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LFSMDCYQBOCYQC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
503.7
MW (Da)
3.61
ALogP
6
HBA
2
HBD
90.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 CHEMBL4358 | IC50 | 7.85 | 7.575 | 14.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2216.24 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 1700.0 | nM | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of rabbit 15-lipoxygenase in presence of linoleic acid | 17656086 |
| Polyunsaturated fatty acid lipoxygenase ALOX15 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of rabbit 15-lipoxygenase in presence of arachidonic acid | 17656086 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17656086 | 10.1016/j.bmcl.2007.07.011 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 2 |
| 17656086 | 10.1016/j.bmcl.2007.07.011 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine