Compound Detail
CHEMBL590248
QUIQUELIGNAN E Enter ChEMBL ID:
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COc1ccc(C(=O)C(COC(=O)c2ccc(O)cc2)Oc2c(OC)cc([C@@H](O)[C@H](O)COC(=O)c3ccc(O)cc3)cc2OC)c(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL590248 |
| Name | QUIQUELIGNAN E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMONDGWEAFZUJM-LMTUGHDTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
708.7
MW (Da)
3.58
ALogP
15
HBA
5
HBD
217.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.21 | 4.74 | 6200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6200.0 | nM | 5.21 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 20056545 |
| NON-PROTEIN TARGET | IC50 | = | 53800.0 | nM | 4.27 | Antioxidant activity assessed as superoxide radical scavenging activity by chemi... | 20056545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20056545 | 10.1016/j.bmc.2009.12.016 | NON-PROTEIN TARGET | 3 |
| 20056545 | 10.1016/j.bmc.2009.12.016 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine