Compound Detail
CHEMBL1939391
ELLAGIC ACID 4-O-XYLOPYRANOSIDE Enter ChEMBL ID:
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O=c1oc2c(O)c(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)cc3c(=O)oc4c(O)c(O)cc1c4c23
Basic Information
| ChEMBL ID | CHEMBL1939391 |
| Name | ELLAGIC ACID 4-O-XYLOPYRANOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNURQRIPZJJYQO-PJIMMEPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
434.3
MW (Da)
-0.58
ALogP
12
HBA
6
HBD
200.3
PSA (Ų)
0.13
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of xanthine oxidase assessed as conversion of xanthine to uric acid i... | 15652581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22196120 | 10.1016/j.bmcl.2011.11.109 | Unchecked | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Unchecked | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Candida albicans | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Corynebacterium accolens | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Staphylococcus aureus | 1 |
| 15652581 | 10.1016/j.phytochem.2004.11.016 | Pectobacterium carotovorum | 1 |
Data from ChEMBL 36 via Core Engine