Compound Detail
CHEMBL589759
QUIQUELIGNAN B Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCO[C@@H](c1ccc(O)c(OC)c1)[C@@H](COC(=O)c1ccc(O)cc1)Oc1c(OC)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL589759 |
| Name | QUIQUELIGNAN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYWLXVXQUMWOMA-YBLXTWFBSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
676.7
MW (Da)
5.62
ALogP
13
HBA
4
HBD
179.7
PSA (Ų)
0.13
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.7 | 4.53 | 19900.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 19900.0 | nM | 4.7 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 20056545 |
| RAW264.7 | IC50 | = | 36000.0 | nM | 4.44 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20056545 |
| NON-PROTEIN TARGET | IC50 | = | 43300.0 | nM | 4.36 | Antiplatelet aggregatory activity in human platelet rich plasma assessed as inhi... | 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