Compound Detail
CHEMBL1644713
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 | CHEMBL1644713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNVLWOICKRBMDC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
2.18
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1075246 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 590.0 | nM | 6.23 | Inhibition of rat liver xanthine oxidase by spectrophotometry | 21163661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21163661 | 10.1016/j.bmc.2010.11.034 | Xanthine dehydrogenase/oxidase | 2 |
| 21163661 | 10.1016/j.bmc.2010.11.034 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine