Compound Detail
CHEMBL1957048
CAMELLIQUERCETISIDE C Enter ChEMBL ID:
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C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H](O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1957048 |
| Name | CAMELLIQUERCETISIDE C |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJNXAFADOMWGIU-UFYQSDDJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
888.8
MW (Da)
-1.25
ALogP
22
HBA
12
HBD
354.6
PSA (Ų)
0.05
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.5 | 4.5 | 31900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.33 | 4.33 | 46700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 31900.0 | nM | 4.5 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 22377672 |
| Unchecked | IC50 | = | 46700.0 | nM | 4.33 | Inhibition of Saccharomyces cerevisiae alcohol dehydrogenase measured every 5 mi... | 22377672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22377672 | 10.1016/j.bmc.2012.02.002 | Unchecked | 3 |
| 22377672 | 10.1016/j.bmc.2012.02.002 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine