Compound Detail
CHEMBL4163708
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O=C(OC[C@H]1O[C@@H](Oc2c(O)cc(O)cc2O)[C@H](O)[C@@H](O)[C@@H]1O)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL4163708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDUFXTPLWBUGNM-YLUTUWDDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.4
MW (Da)
-1.04
ALogP
13
HBA
9
HBD
226.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 3000.0 | nM | 5.52 | Antioxidant activity assessed as DPPH radical scavenging activity measured after... | 29300477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29300477 | 10.1021/acs.jnatprod.7b00564 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine