Compound Detail
CHEMBL206632
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O=c1cc(-c2ccc(Cl)cc2)c2ccc(Sc3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)cc2o1
Basic Information
| ChEMBL ID | CHEMBL206632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CDYGFQRKMFZWKB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.9
MW (Da)
7.72
ALogP
4
HBA
1
HBD
50.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 8.37 | 7.1733 | 4.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4.3 | nM | 8.37 | Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human poly... | 16464579 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of human 5-LO | 16464579 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 400.0 | nM | 6.4 | Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human whol... | 16464579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16464579 | 10.1016/j.bmcl.2006.01.085 | Polyunsaturated fatty acid 5-lipoxygenase | 3 |
Data from ChEMBL 36 via Core Engine