Compound Detail
CHEMBL506706
YADANZIOSIDE I Enter ChEMBL ID:
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COC(=O)[C@]12OC[C@]34[C@H]([C@@H](O)[C@@H]1O)[C@@]1(C)CC(=O)C(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)=C(C)[C@@H]1C[C@H]3OC(=O)[C@H](OC(C)=O)[C@@H]24
Basic Information
| ChEMBL ID | CHEMBL506706 |
| Name | YADANZIOSIDE I |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVXFIBXCQCYPLP-WQZWDNGFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
642.6
MW (Da)
-3.17
ALogP
16
HBA
6
HBD
245.0
PSA (Ų)
0.13
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tobacco mosaic virus CHEMBL613818 | IC50 | 5.38 | 5.38 | 4220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tobacco mosaic virus | IC50 | = | 4220.0 | nM | 5.38 | In vivo antiviral activity against Tobacco mosaic virus strain U1 (TMV) infected... | 20050684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20050684 | 10.1021/jf903434h | Tobacco mosaic virus | 7 |
| 3298551 | 10.1021/np50049a007 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine