Compound Detail
CHEMBL3398268
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C[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3398268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFPMSGMNTNDNHN-ZVGOEHTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
580.5
MW (Da)
-1.17
ALogP
14
HBA
8
HBD
225.1
PSA (Ų)
0.20
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.03 | 4.03 | 93800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 93800.0 | nM | 4.03 | 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