Compound Detail
CHEMBL500352
QUADRANOSIDE IV Enter ChEMBL ID:
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C[C@H]1[C@H](C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL500352 |
| Name | QUADRANOSIDE IV |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEGYWKLSOORPGU-SXLQXSQGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
650.9
MW (Da)
2.29
ALogP
10
HBA
7
HBD
177.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.15 | 4.105 | 70200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 70200.0 | nM | 4.15 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21353543 |
| RAW264.7 | IC50 | = | 86400.0 | nM | 4.06 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 21353543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353543 | 10.1016/j.bmcl.2011.01.066 | RAW264.7 | 5 |
| 10785422 | 10.1021/np990581+ | Hepatocyte | 4 |
| 11277757 | 10.1021/np000486x | Hepatocyte | 1 |
Data from ChEMBL 36 via Core Engine