Compound Detail
CHEMBL3402699
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Basic Information
| ChEMBL ID | CHEMBL3402699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZCXTXCKOUAFPB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.20
ALogP
6
HBA
2
HBD
99.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL1929 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of butter milk Xanthine oxidase using xanthine as substrate preincuba... | 25704891 |
| Xanthine dehydrogenase/oxidase | IC50 | = | 3.0 | nM | 8.52 | Inhibition of XO (unknown origin) | 37974965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25704891 | 10.1016/j.bmcl.2015.01.055 | Unchecked | 1 |
| 25704891 | 10.1016/j.bmcl.2015.01.055 | Rattus norvegicus | 1 |
| 37974965 | 10.1039/d3md00316g | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine