Compound Detail
CHEMBL3121613
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Basic Information
| ChEMBL ID | CHEMBL3121613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSKWEULINLMCGS-SSDVNMTOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
3.62
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 5.41 | 5.41 | 3870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 3870.0 | nM | 5.41 | Inhibition of bovine xanthine oxidase using xanthine as substrate measured for 6... | 24556143 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24556143 | 10.1016/j.ejmech.2014.01.058 | Xanthine dehydrogenase/oxidase | 2 |
Data from ChEMBL 36 via Core Engine