Compound Detail
CHEMBL509486
KUSHENOL T Enter ChEMBL ID:
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C=C(C)[C@H](CCC(C)(C)O)Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1O)CC2=O
Basic Information
| ChEMBL ID | CHEMBL509486 |
| Name | KUSHENOL T |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMFICSJNAUBMIQ-QRQCRPRQSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.80
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.92
Ki 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.97 | 4.97 | 10800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 4.43 | 4.43 | 36800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10800.0 | nM | 4.97 | Inhibition of Clostridium perfringens neuraminidase by Lineweaver-Burke plot | 18938076 |
| Unchecked | IC50 | = | 12100.0 | nM | 4.92 | Inhibition of Clostridium perfringens neuraminidase | 18938076 |
| Beta-secretase 1 | IC50 | = | 36800.0 | nM | 4.43 | Inhibition of human BACE1 | 18565755 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10654410 | 10.1021/np990051d | Unchecked | 6 |
| 18565755 | 10.1016/j.bmc.2008.05.080 | Beta-secretase 1 | 2 |
| 18938076 | 10.1016/j.bmcl.2008.10.033 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine