Compound Detail
CHEMBL2337339
ASPULVINONE E Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2337339 |
| Name | ASPULVINONE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNNVVTQUWNGKPH-ZROIWOOFSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
2.96
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Staphylococcus aureus CHEMBL352 | IC50 | 4.58 | 4.58 | 26100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of Saccharomyces cerevisiae alpha-Glucosidase using p-nitrophenyl-alp... | 26706176 |
| Staphylococcus aureus | IC50 | = | 26100.0 | nM | 4.58 | Antibacterial activity against Staphylococcus aureus ATCC 25923 assessed as bact... | 35063731 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29016131 | 10.1021/acs.jnatprod.6b00878 | Human immunodeficiency virus 1 | 2 |
| 23411074 | 10.1016/j.bmcl.2013.01.051 | Influenza A virus | 1 |
| 23411074 | 10.1016/j.bmcl.2013.01.051 | MDCK | 1 |
| 23411074 | 10.1016/j.bmcl.2013.01.051 | A549 | 1 |
| - | 10.1039/C2MD20008B | Glucose-6-phosphate exchanger SLC37A4 | 1 |
| 26706176 | 10.1016/j.bmcl.2015.12.009 | Unchecked | 1 |
| 29016131 | 10.1021/acs.jnatprod.6b00878 | SUP-T1 | 1 |
| 29295795 | 10.1016/j.bmcl.2017.12.049 | Alpha glucosidase | 1 |
| 29295795 | 10.1016/j.bmcl.2017.12.049 | No relevant target | 1 |
| 35063731 | 10.1016/j.ejmech.2022.114117 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine