Compound Detail
CHEMBL5189353
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Basic Information
| ChEMBL ID | CHEMBL5189353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWTQXEAIRBISCL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.50
ALogP
5
HBA
1
HBD
96.1
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.21
Ki 1 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | Ki | 7.49 | 7.49 | 32.5 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | Ki | = | 32.5 | nM | 7.49 | Mixed-type inhibition of xanthine oxidase (unknown origin) assessed as inhibitor... | 34992040 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 62.0 | nM | 7.21 | Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate prei... | 34992040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34992040 | 10.1016/j.ejmech.2021.114086 | Xanthine dehydrogenase/oxidase | 4 |
| 34992040 | 10.1016/j.ejmech.2021.114086 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine