Compound Detail
CHEMBL122544
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Basic Information
| ChEMBL ID | CHEMBL122544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKOQVDAGVTZSIE-MDZDMXLPSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.3
MW (Da)
3.12
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.35 | 7.35 | 45.0 | 2 |
| Cyclooxygenase CHEMBL2096674 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 45.0 | nM | 7.35 | Ability to inhibit 5-lipoxygenase by using a crude preparation of the cytosolic ... | 2104936 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 45.0 | nM | 7.35 | Inhibition of 5-lipoxygenase in Rattus norvegicus Rat basophil leukemia cells (R... | - |
| Cyclooxygenase | IC50 | = | 11000.0 | nM | 4.96 | In vitro inhibition of Prostaglandin G/H synthase in BSV cell line. | 2104936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2104936 | 10.1021/jm00163a058 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2104936 | 10.1021/jm00163a058 | Cyclooxygenase | 1 |
| 2104936 | 10.1021/jm00163a058 | Mus musculus | 1 |
| - | 10.1007/s00044-013-0499-2 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine