Compound Detail
CHEMBL590000
QUIQUELIGNAN D Enter ChEMBL ID:
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COc1ccc(C(=O)C(COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)c(OC)c1O
Basic Information
| ChEMBL ID | CHEMBL590000 |
| Name | QUIQUELIGNAN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGUWFOYFNJATTI-AATRIKPKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
674.7
MW (Da)
5.20
ALogP
13
HBA
3
HBD
176.5
PSA (Ų)
0.11
QED
3
Ro5 Violations
15
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 |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.56 | 4.365 | 27500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 20000.0 | nM | 4.7 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20056545 |
| NON-PROTEIN TARGET | IC50 | = | 27500.0 | nM | 4.56 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 20056545 |
| NON-PROTEIN TARGET | IC50 | = | 67500.0 | nM | 4.17 | 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 | RAW264.7 | 4 |
| 20056545 | 10.1016/j.bmc.2009.12.016 | NON-PROTEIN TARGET | 3 |
Data from ChEMBL 36 via Core Engine