Compound Detail
CHEMBL5407183
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Basic Information
| ChEMBL ID | CHEMBL5407183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIEGWYRRGJXQAX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.57
ALogP
4
HBA
2
HBD
81.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 25.0 | nM | 7.6 | Inhibition of XO (unknown origin) using xanthine as substrate by spectrophotomet... | 37974965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37974965 | 10.1039/d3md00316g | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine