Compound Detail
CHEMBL315735
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Basic Information
| ChEMBL ID | CHEMBL315735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHVLSRFSCZHMTO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
284.3
MW (Da)
2.65
ALogP
6
HBA
1
HBD
63.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 4.44 | 4.44 | 36520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 36520.0 | nM | 4.44 | Inhibitory activity against Xanthine Oxidase | 8691450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691450 | 10.1021/jm950876u | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine