Compound Detail
CHEMBL84643
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Basic Information
| ChEMBL ID | CHEMBL84643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMCHGBPYKARBDS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
-0.21
ALogP
5
HBA
3
HBD
127.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Ki 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | Ki | 5.97 | 5.97 | 1060.0 | 1 |
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 5.37 | 5.37 | 4290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | Ki | = | 1060.0 | nM | 5.97 | Inhibitory activity against Xanthine Oxidase | 8691450 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 4290.0 | nM | 5.37 | Inhibitory activity against Xanthine Oxidase | 8691450 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8691450 | 10.1021/jm950876u | Xanthine dehydrogenase/oxidase | 2 |
Data from ChEMBL 36 via Core Engine