Compound Detail
CHEMBL3398266
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COCO[C@H]1[C@H](O)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)[C@H](Oc2cc(O)c3c(c2)O[C@@H](c2ccc(O)cc2)CC3=O)O[C@@H]1CO
Basic Information
| ChEMBL ID | CHEMBL3398266 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSJLCSLNQYADHL-MPAPBXLWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
624.6
MW (Da)
-0.54
ALogP
15
HBA
7
HBD
223.3
PSA (Ų)
0.17
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.39 | 4.815 | 4100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 4100.0 | nM | 5.39 | Antioxidant activity assessed as ONOO- scavenging activity | 25677658 |
| No relevant target | IC50 | = | 57300.0 | nM | 4.24 | Antioxidant activity assessed as DPPH free radical scavenging activity | 25677658 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25677658 | 10.1016/j.bmcl.2015.01.054 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine