Compound Detail
CHEMBL4281005
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 | CHEMBL4281005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPYQOROYFGTEMI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
4.28
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.92 | 5.87 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed a... | 30268822 |
| Beta-secretase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed a... | 30268822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30268822 | 10.1016/j.ejmech.2018.08.092 | Beta-secretase 1 | 4 |
Data from ChEMBL 36 via Core Engine