Compound Detail
CHEMBL471482
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COc1c(-c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)oc2cc(O)cc(O)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL471482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCBCGLHWIGZJQI-UKWZQOBBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
-0.24
ALogP
12
HBA
7
HBD
199.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase CHEMBL3649 | IC50 | 4.45 | 4.45 | 35600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Xanthine dehydrogenase/oxidase | IC50 | = | 35600.0 | nM | 4.45 | Inhibition of cow milk xanthine oxidase | 3379415 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 2 |
Data from ChEMBL 36 via Core Engine