Compound Detail
CHEMBL459319
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Basic Information
| ChEMBL ID | CHEMBL459319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCVUBCRVTXXSFI-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
321.3
MW (Da)
2.70
ALogP
6
HBA
1
HBD
96.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.62
IC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | EC50 | = | 23.99 | nM | 7.62 | Inhibition of bovine xanthine oxidase assessed as reduction in uric acid formati... | 29407989 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of bovine milk xanthine oxidoreductase | 19027292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19027292 | 10.1016/j.bmcl.2008.10.122 | Xanthine dehydrogenase/oxidase | 1 |
| 19027292 | 10.1016/j.bmcl.2008.10.122 | Rattus norvegicus | 1 |
| 29407989 | 10.1016/j.ejmech.2018.01.060 | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine