Compound Detail
CHEMBL416197
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL416197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQCCAPLJOCDURD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
4.06
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 25.0 | nM | 7.6 | Tested for its inhibitory activity against arachidonic acid in rat 5-lipoxygenas... | 1313879 |
| Unchecked | IC50 | = | 38.0 | nM | 7.42 | Inhibitory activity against Leukotriene B4 receptor in human PMN | 1313879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1313879 | 10.1021/jm00085a019 | Unchecked | 1 |
| 1313879 | 10.1021/jm00085a019 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1313879 | 10.1021/jm00085a019 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine