Compound Detail
CHEMBL455679
KUSHENOL A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL455679 |
| Name | KUSHENOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGBMVWVBHWHRGD-MWTRTKDXSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.5
MW (Da)
5.60
ALogP
5
HBA
3
HBD
87.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.58
Ki 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.83 | 4.83 | 14800.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of human BACE1 | 18565755 |
| Beta-secretase 1 | Ki | = | 3000.0 | nM | 5.52 | Inhibition of human BACE1 | 18565755 |
| Unchecked | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of Clostridium perfringens neuraminidase | 18938076 |
| Unchecked | Ki | = | 17100.0 | nM | 4.77 | Inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot | 18938076 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18565755 | 10.1016/j.bmc.2008.05.080 | Beta-secretase 1 | 4 |
| 18938076 | 10.1016/j.bmcl.2008.10.033 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine