Compound Detail
CHEMBL1668217
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Basic Information
| ChEMBL ID | CHEMBL1668217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEGICUFYTZGKRI-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
264.3
MW (Da)
2.90
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.51 | 6.0675 | 310.0 | 4 |
| RAW264.7 CHEMBL612557 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 310.0 | nM | 6.51 | Competitive inhibition of human recombinant 5-LO expressed in Escherichia coli B... | 23871907 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 780.0 | nM | 6.11 | Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using ar... | 23871907 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 970.0 | nM | 6.01 | Competitive inhibition of human recombinant 5-LO expressed in Escherichia coli B... | 23871907 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of 5-LO in human PMNL using arachidonic acid as substrate preincubate... | 23871907 |
| RAW264.7 | IC50 | = | 4000.0 | nM | 5.4 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21163556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23871907 | 10.1016/j.ejmech.2013.06.039 | Polyunsaturated fatty acid 5-lipoxygenase | 6 |
| 21163556 | 10.1016/j.ejmech.2010.11.028 | RAW264.7 | 4 |
| 21163556 | 10.1016/j.ejmech.2010.11.028 | Unchecked | 4 |
| 23871907 | 10.1016/j.ejmech.2013.06.039 | Polyunsaturated fatty acid lipoxygenase ALOX15 | 2 |
| 23871907 | 10.1016/j.ejmech.2013.06.039 | Polyunsaturated fatty acid lipoxygenase ALOX12 | 2 |
Data from ChEMBL 36 via Core Engine