Compound Detail
CHEMBL1224884
QUIQUESETINERVIUSIN C Enter ChEMBL ID:
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CCO[C@H](c1ccc(O)c(OC)c1)[C@H](COC(=O)c1ccc(O)cc1)Oc1ccc(/C=C/COC(=O)c2ccc(O)cc2)cc1OC
Basic Information
| ChEMBL ID | CHEMBL1224884 |
| Name | QUIQUESETINERVIUSIN C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJOCWJVELQVODF-SYHVOMKVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
644.7
MW (Da)
6.07
ALogP
11
HBA
3
HBD
150.2
PSA (Ų)
0.13
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.02 | 4.02 | 95700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 16600.0 | nM | 4.78 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 20825224 |
| RAW264.7 | IC50 | = | 95700.0 | nM | 4.02 | Antiinflammatory activity against LPS-stimulated mouse RAW264.7 cells assessed a... | 20825224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20825224 | 10.1021/np100181c | RAW264.7 | 3 |
| 20825224 | 10.1021/np100181c | NON-PROTEIN TARGET | 2 |
| 20825224 | 10.1021/np100181c | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine