Compound Detail
CHEMBL499543
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O=C(/C=C/c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1c1c(O)cc2oc3cc(O)c(O)cc3c(=O)c2c1O
Basic Information
| ChEMBL ID | CHEMBL499543 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IEOFCWJJHJJKMH-CUZKZROISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.5
MW (Da)
1.25
ALogP
13
HBA
8
HBD
227.6
PSA (Ų)
0.07
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.59 | 4.59 | 25450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 25450.0 | nM | 4.59 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins | 14575443 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14575443 | 10.1021/np030100t | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine