Compound Detail
CHEMBL2152919
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2152919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIEDCASQCHKJPE-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
3.82
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 8.85 | 8.8025 | 1.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of BACE by TR-FRET assay | 24900397 |
| Beta-secretase 1 | IC50 | = | 1.4 | nM | 8.85 | Diluted TR-FRET Assay: TR-FRET AssayThe beta-secretase enzyme used in the TR-FRE... | - |
| Beta-secretase 1 | IC50 | = | 1.4 | nM | 8.85 | FRET Assay: The enzyme (truncated form) was diluted to 6 μg/mL (stock 1.3 mg/mL)... | - |
| Beta-secretase 1 | IC50 | = | 2.2 | nM | 8.66 | Inhibition of BACE by secreted APPbeta release assay | 24900397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900397 | 10.1021/ml300324q | Beta-secretase 1 | 2 |
Data from ChEMBL 36 via Core Engine