Compound Detail
CHEMBL3754211
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C=C[C@](C)(CC/C=C(\CO)CC/C=C(\C)C[C@@H](O)/C=C(\C)C(=O)O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3754211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQQKZIVFXGPJHN-LOXGCHMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
0.95
ALogP
9
HBA
7
HBD
177.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.4 | 4.4 | 40200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 40200.0 | nM | 4.4 | Antioxidative activity of the compound assessed as DPPH radical scavenging activ... | 26777629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26777629 | 10.1016/j.bmcl.2015.12.091 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine