Compound Detail
CHEMBL446449
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Basic Information
| ChEMBL ID | CHEMBL446449 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIAVUEFUPHOGJY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
183.6
MW (Da)
1.05
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 4.99 | 4.99 | 10190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 10190.0 | nM | 4.99 | Inhibition of human xanthine oxidase | 17379526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17379526 | 10.1016/j.bmc.2007.03.010 | Xanthine dehydrogenase/oxidase | 2 |
| 28933546 | 10.1021/acs.jmedchem.7b01066 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine