Compound Detail
CHEMBL389958
ASPERULOSIDIC ACID Enter ChEMBL ID:
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CC(=O)OCC1=C[C@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12
Basic Information
| ChEMBL ID | CHEMBL389958 |
| Name | ASPERULOSIDIC ACID |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGDWCRWJRNMRKX-OKEASSFKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
-2.78
ALogP
11
HBA
6
HBD
192.4
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17480098 | 10.1021/np068065o | Human gammaherpesvirus 4 | 4 |
| 15844957 | 10.1021/np0495985 | NON-PROTEIN TARGET | 2 |
| 17480098 | 10.1021/np068065o | Raji | 1 |
| 11473436 | 10.1021/np000614h | NON-PROTEIN TARGET | 1 |
| 15844957 | 10.1021/np0495985 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine