Compound Detail
CHEMBL1765909
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Basic Information
| ChEMBL ID | CHEMBL1765909 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKACZNLFAPBMCS-ZROIWOOFSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
4.11
ALogP
3
HBA
1
HBD
49.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.96 | 6.68 | 110.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of LTB4 ... | 21341744 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of 5-lipoxygenase in S100 supernatant assessed as inhibition of (5(S)... | 21341744 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as i... | 21341744 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of 5-lipoxygenase in human polymorphonuclear leukocytes assessed as i... | 21341744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341744 | 10.1021/jm101165z | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
Data from ChEMBL 36 via Core Engine