Compound Detail
CHEMBL63054
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 | CHEMBL63054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSMRRZONCYIFNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
195.3
MW (Da)
3.53
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 17000.0 | nM | 4.77 | In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1)... | 2113951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2113951 | 10.1021/jm00169a035 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 19144451 | 10.1016/j.ejmech.2008.12.003 | 5-hydroxytryptamine receptor 3A | 1 |
| 24900465 | 10.1021/ml200266v | U-937 | 1 |
| 24340169 | 10.1039/c2md00290f | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 24340169 | 10.1039/c2md00290f | NAD-dependent protein deacetylase sirtuin-2 | 1 |
| - | 10.1039/C3MD00397C | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine