Compound Detail
CHEMBL3667863
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Basic Information
| ChEMBL ID | CHEMBL3667863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWZQFNSOFGQISH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
3.01
ALogP
5
HBA
2
HBD
99.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 8.77 | 8.77 | 1.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 1.7 | nM | 8.77 | Inhibition Assay: Xanthine oxidase (from bovine milk, Sigma) was prepared with p... | - |
| Xanthine dehydrogenase/oxidase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of Bovine milk XO using xanthine as substrate measured after 10 mins ... | 37974965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37974965 | 10.1039/d3md00316g | Xanthine dehydrogenase/oxidase | 1 |
Data from ChEMBL 36 via Core Engine