Compound Detail
CHEMBL4284444
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Basic Information
| ChEMBL ID | CHEMBL4284444 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQMADICQUYIKLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
5.53
ALogP
4
HBA
2
HBD
45.1
PSA (Ų)
0.62
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.9 | 6.9 | 127.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 127.0 | nM | 6.9 | Inhibition of rat 5-LOX expressed in Sf21 insect cells preincubated for 4 mins f... | 30108915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108915 | 10.1039/C7MD00390K | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine