Compound Detail
CHEMBL590185
QUIQUELIGNAN H Enter ChEMBL ID:
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COc1ccc([C@H](O)[C@H](COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)cc1O
Basic Information
| ChEMBL ID | CHEMBL590185 |
| Name | QUIQUELIGNAN H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXFCLWBWJFJPIC-QFEFOYBJSA-N |
2
Targets
3
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 3 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.69 | 4.475 | 20400.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 4.28 | 4.28 | 52400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 20400.0 | nM | 4.69 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 20056545 |
| RAW264.7 | IC50 | = | 52400.0 | nM | 4.28 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 20056545 |
| NON-PROTEIN TARGET | IC50 | = | 55200.0 | nM | 4.26 | 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