Compound Detail
CHEMBL139891
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CC1Cc2c(OCc3ccc4ccccc4n3)ccc3c2c(c(COc2ccccc2CC(=O)O)n3Cc2ccc(Cl)cc2)S1
Basic Information
| ChEMBL ID | CHEMBL139891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZPNCYRGLMYKCE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
635.2
MW (Da)
8.71
ALogP
6
HBA
1
HBD
73.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein CHEMBL4550 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Arachidonate 5-lipoxygenase-activating protein | IC50 | = | 32.0 | nM | 7.5 | Inhibition of 5-lipoxygenase activating protein using human leukocyte membrane p... | 7473582 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 100.0 | nM | 7.0 | Inhibition of Human 5-lipoxygenase | 7473582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473582 | 10.1021/jm00022a020 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 7473582 | 10.1021/jm00022a020 | Arachidonate 5-lipoxygenase-activating protein | 1 |
Data from ChEMBL 36 via Core Engine