Compound Detail
CHEMBL4642463
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 | CHEMBL4642463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVAFMFLAAGBATC-OXIWPEFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
0.99
ALogP
5
HBA
2
HBD
76.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.18 | 5.18 | 6640.0 | 1 |
| Beta-secretase 2 CHEMBL2525 | IC50 | 5.13 | 5.13 | 7330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 6640.0 | nM | 5.18 | Inhibition of human BACE1 (1 to 460 residues) expressed in HEK293 cells using mc... | 31786008 |
| Beta-secretase 2 | IC50 | = | 7330.0 | nM | 5.13 | Inhibition of human BACE2 | 31786008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31786008 | 10.1016/j.bmc.2019.115194 | Beta-secretase 1 | 1 |
| 31786008 | 10.1016/j.bmc.2019.115194 | Beta-secretase 2 | 1 |
| 31786008 | 10.1016/j.bmc.2019.115194 | Cathepsin D | 1 |
Data from ChEMBL 36 via Core Engine