Compound Detail
CHEMBL212366
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Basic Information
| ChEMBL ID | CHEMBL212366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWOMAHASUCHMCR-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
4.45
ALogP
4
HBA
3
HBD
74.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 6.52 | 6.07 | 300.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of 5-LOX | 16821792 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human recombinant 5-LO expressed in Escherichia coli BL21 using ar... | 24871899 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of 5-LOX in A-23187-stimulated PNML | 16821792 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of 5-LO in human polymorphonuclear leukocytes assessed as inhibition ... | 24871899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16821792 | 10.1021/jm050801i | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
| 24871899 | 10.1016/j.ejmech.2014.05.033 | Polyunsaturated fatty acid 5-lipoxygenase | 4 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin E synthase | 2 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin G/H synthase 1 | 1 |
| 19884011 | 10.1016/j.bmc.2009.10.025 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine