Compound Detail
CHEMBL498456
BOERAVINONE D Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL498456 |
| Name | BOERAVINONE D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZESAOJOQKPXOPG-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.3
MW (Da)
2.92
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.32
Ki 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.32 | 5.32 | 4770.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | Ki | 5.3 | 5.3 | 5010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 4770.0 | nM | 5.32 | Inhibition of BACE1 (unknown origin) | 24835197 |
| Beta-secretase 1 | Ki | = | 5010.0 | nM | 5.3 | Non-competitive inhibition of BACE1 (unknown origin) by Dixon plot analysis | 24835197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24835197 | 10.1016/j.bmcl.2014.04.060 | Beta-secretase 1 | 3 |
| 24835197 | 10.1016/j.bmcl.2014.04.060 | Unchecked | 2 |
| 16792408 | 10.1021/np060073h | Ileum | 1 |
| 24835197 | 10.1016/j.bmcl.2014.04.060 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine