Compound Detail
CHEMBL443461
LIGUPURPUROSIDE B Enter ChEMBL ID:
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C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](OCCc4ccc(O)cc4)O[C@H](CO)[C@H]3OC(=O)/C=C/c3ccc(O)cc3)O[C@H]2C)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL443461 |
| Name | LIGUPURPUROSIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNUMFJHHCJMAHD-CJEBOOSQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
738.7
MW (Da)
-1.58
ALogP
17
HBA
9
HBD
263.8
PSA (Ų)
0.09
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.09 | 4.09 | 80400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 80400.0 | nM | 4.09 | Antioxidant activity assessed as inhibition of AAPH-induced hemolysis in rat RBC... | 12828473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12828473 | 10.1021/np020568g | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine