Compound Detail
CHEMBL4066914
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Basic Information
| ChEMBL ID | CHEMBL4066914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITXOBXSGTZJLAO-AUWJEWJLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.2
MW (Da)
2.71
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 68.0 | nM | 7.17 | Inhibition of bovine milk xanthine-oxidase using xanthine as substrate after 5 m... | 28545814 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28545814 | 10.1016/j.bmc.2017.04.048 | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine