Compound Detail
CHEMBL450838
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Basic Information
| ChEMBL ID | CHEMBL450838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOTKQYFHMDQQBS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
300.8
MW (Da)
4.35
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.01 | 5.0 | 9800.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 9800.0 | nM | 5.01 | Inhibition of 5-lipoxygenase in A-23817-challenged human neutrophils assessed as... | 19492852 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of human recombinant 5-lipoxygenase expressed in Escherichia coli ass... | 19492852 |
| Unchecked | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19492852 | 10.1021/jm900212y | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine