Compound Detail
CHEMBL3897492
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 | CHEMBL3897492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTMLYHWFKNEJFA-BBATYDOGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.4
MW (Da)
2.72
ALogP
6
HBA
2
HBD
89.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.07 | 6.07 | 860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 860.0 | nM | 6.07 | Inhibition of BACE1 (unknown origin) | 27816517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27816517 | 10.1016/j.bmcl.2016.10.055 | Beta-secretase 1 | 1 |
| 27816517 | 10.1016/j.bmcl.2016.10.055 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine