Compound Detail
CHEMBL461910
ASPERULOSIDE Enter ChEMBL ID:
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CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@@H]32
Basic Information
| ChEMBL ID | CHEMBL461910 |
| Name | ASPERULOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBIPGYWNOBGEMH-DILZHRMZSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
-2.30
ALogP
11
HBA
4
HBD
161.2
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21324693 | 10.1016/j.bmcl.2011.01.060 | Mus musculus | 9 |
| 15844957 | 10.1021/np0495985 | NON-PROTEIN TARGET | 2 |
| 35489224 | 10.1016/j.ejmech.2022.114405 | Mus musculus | 2 |
| 11473436 | 10.1021/np000614h | NON-PROTEIN TARGET | 1 |
| 15844957 | 10.1021/np0495985 | Radical scavenging activity | 1 |
| 27509358 | 10.1021/acs.jnatprod.6b00484 | Pancreatic alpha-amylase | 1 |
| 35489224 | 10.1016/j.ejmech.2022.114405 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine