Compound Detail
CHEMBL2029855
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Basic Information
| ChEMBL ID | CHEMBL2029855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKWQTLFDMFHKRG-XHPQRKPJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
7.33
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.05 | 6.62 | 90.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 90.0 | nM | 7.05 | Inhibition of 5-lipoxygenase in cell free S100 freshly isolated human PMNL cells... | 22551629 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 650.0 | nM | 6.19 | Inhibition of 5-lipoxygenase in human polynuclear leukocytes assessed as inhibit... | 22551629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22551629 | 10.1016/j.bmc.2012.04.003 | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
Data from ChEMBL 36 via Core Engine