Compound Detail
CHEMBL1224877
QUIQUESETINERVIUSIDE A Enter ChEMBL ID:
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COc1cc(/C=C/C(=O)OC[C@H]2O[C@@](CO)(O[C@H]3O[C@H](CO)[C@@H](OC(=O)/C=C/c4ccc(O)c(OC)c4)[C@H](O)[C@H]3O)[C@@H](OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H]2O)ccc1O
Basic Information
| ChEMBL ID | CHEMBL1224877 |
| Name | QUIQUESETINERVIUSIDE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIPKMNJEYYODAH-GPLAAAJXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
870.8
MW (Da)
0.54
ALogP
20
HBA
8
HBD
296.1
PSA (Ų)
0.05
QED
3
Ro5 Violations
17
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.2 | 4.2 | 62500.0 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 4.11 | 4.11 | 78100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 6800.0 | nM | 5.17 | Antioxidant activity assessed as hydroxyl radical scavenging activity by chemilu... | 20825224 |
| Radical scavenging activity | IC50 | = | 62500.0 | nM | 4.2 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 20825224 |
| RAW264.7 | IC50 | = | 78100.0 | nM | 4.11 | 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