Compound Detail
CHEMBL520546
QUERCETIN GLUCURONIDE Enter ChEMBL ID:
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O=C(O)[C@H]1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL520546 |
| Name | QUERCETIN GLUCURONIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUBCCGAQYVUYEU-ZUGPOPFOSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
478.4
MW (Da)
-0.45
ALogP
12
HBA
8
HBD
227.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.43 | 4.39 | 37200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 37200.0 | nM | 4.43 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 23356964 |
| Radical scavenging activity | IC50 | = | 44400.0 | nM | 4.35 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins | 14640528 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479312 | 10.1021/np9900674 | Radical scavenging activity | 4 |
| 24245939 | 10.1021/np400518k | HT-22 | 2 |
| 3379415 | 10.1021/np50056a030 | Xanthine dehydrogenase/oxidase | 1 |
| 14640528 | 10.1021/np034002j | Radical scavenging activity | 1 |
| 20167484 | 10.1016/j.bmcl.2010.01.113 | Angiotensin-converting enzyme | 1 |
| 21782455 | 10.1016/j.bmc.2011.06.085 | Angiotensin-converting enzyme | 1 |
| 23356964 | 10.1021/np300609u | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine