Compound Detail
CHEMBL3125444
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Basic Information
| ChEMBL ID | CHEMBL3125444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLPXUPOZUYGVPD-VMPILDALSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
1.92
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human recombinant 5-lipoxygenase using arachidonic acid as substra... | 24568174 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24568174 | 10.1021/np401010x | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine