Compound Detail
CHEMBL590181
QUIQUELIGNAN G Enter ChEMBL ID:
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COc1cc(/C=C/COC(=O)c2ccc(O)cc2)ccc1O[C@@H](COC(=O)c1ccc(O)cc1)[C@@H](O)c1ccc(OC)c(O)c1OC
Basic Information
| ChEMBL ID | CHEMBL590181 |
| Name | QUIQUELIGNAN G |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XARNEXKFXLQKSM-TXJNQENTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
646.6
MW (Da)
5.04
ALogP
12
HBA
4
HBD
170.4
PSA (Ų)
0.13
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 19000.0 | nM | 4.72 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 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 | 3 |
Data from ChEMBL 36 via Core Engine