Compound Detail
CHEMBL517863
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COc1cc([C@H]2OC[C@]3(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](c4ccc(O)c(OC)c4)OC[C@H]23)ccc1O
Basic Information
| ChEMBL ID | CHEMBL517863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRAPQDCEBKBPQE-ACFZRETJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
536.5
MW (Da)
0.13
ALogP
12
HBA
6
HBD
176.8
PSA (Ų)
0.28
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 20300.0 | nM | 4.69 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 11473417 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11473417 | 10.1021/np0100845 | NON-PROTEIN TARGET | 3 |
| 11473417 | 10.1021/np0100845 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine