Compound Detail
CHEMBL338785
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Basic Information
| ChEMBL ID | CHEMBL338785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKNBJFAZVZMEBJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
0.51
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 85000.0 | nM | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of 5-lipoxygenase catalysis in rat basophilic leukemia (RBL) cells by... | 8831760 |
| Unchecked | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7100.0 | nM | 5.15 | In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) i... | 8831760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831760 | 10.1021/jm960372b | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 8831760 | 10.1021/jm960372b | Rattus norvegicus | 2 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine