Compound Detail
CHEMBL1774168
ASTRAGALIN HEPTAACETATE Enter ChEMBL ID:
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CC(=O)OC[C@H]1O[C@@H](Oc2c(-c3ccc(OC(C)=O)cc3)oc3cc(OC(C)=O)cc(OC(C)=O)c3c2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1774168 |
| Name | ASTRAGALIN HEPTAACETATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNIDEUYQVRRKJJ-FZPNTLRJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
742.6
MW (Da)
2.70
ALogP
18
HBA
0
HBD
232.8
PSA (Ų)
0.16
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | IC50 | = | 800.0 | nM | 6.1 | Antitrypanosomal activity against epimastigote form of Trypanosoma cruzi assesse... | 21466157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21466157 | 10.1021/np1008043 | Trypanosoma cruzi | 9 |
| 21466157 | 10.1021/np1008043 | Vero | 1 |
| 21466157 | 10.1021/np1008043 | Unchecked | 1 |
| 21466157 | 10.1021/np1008043 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine