Compound Detail
CHEMBL597904
QUIQUELIGNAN C Enter ChEMBL ID:
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CCO[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)Oc1c(OC)cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL597904 |
| Name | QUIQUELIGNAN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIWWAPBABNONJI-IXCJQBJRSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
554.5
MW (Da)
4.12
ALogP
11
HBA
4
HBD
157.3
PSA (Ų)
0.21
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.82 | 4.565 | 15300.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 4.2 | 4.2 | 63400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 15300.0 | nM | 4.82 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 20056545 |
| NON-PROTEIN TARGET | IC50 | = | 49400.0 | nM | 4.31 | Antiplatelet aggregatory activity in human platelet rich plasma assessed as inhi... | 20056545 |
| RAW264.7 | IC50 | = | 63400.0 | nM | 4.2 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 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