Compound Detail
CHEMBL4289410
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 | CHEMBL4289410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFSPQCBHIXWKED-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
520.8
MW (Da)
5.34
ALogP
6
HBA
1
HBD
40.2
PSA (Ų)
0.38
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.55 | 5.465 | 2800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed a... | 30268822 |
| Beta-secretase 1 | IC50 | = | 4200.0 | nM | 5.38 | 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