Compound Detail
CHEMBL1795523
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Basic Information
| ChEMBL ID | CHEMBL1795523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQOKDEZVBWJKGR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
375.3
MW (Da)
3.51
ALogP
7
HBA
3
HBD
123.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 5.33 | 5.33 | 4670.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 4.66 | 4.66 | 21730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 4670.0 | nM | 5.33 | Inhibition of bovine Xanthine oxidase assessed as reduction in uric acid level b... | 21620698 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 21730.0 | nM | 4.66 | Inhibition of XO (unknown origin) | 36335742 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21620698 | 10.1016/j.bmcl.2011.04.140 | Xanthine dehydrogenase/oxidase | 1 |
| 36335742 | 10.1016/j.ejmech.2022.114890 | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine