Compound Detail
CHEMBL2178523
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 | CHEMBL2178523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZGMRTZEDNSSBH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
398.4
MW (Da)
5.01
ALogP
6
HBA
1
HBD
60.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 60.0 | nM | 7.22 | Modulation of gamma-secretase in human SK-N-BE(2) cells expressing wild type APP... | 22650177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22650177 | 10.1021/jm201710f | Mus musculus | 2 |
| 22650177 | 10.1021/jm201710f | Gamma-secretase | 2 |
| 22650177 | 10.1021/jm201710f | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22650177 | 10.1021/jm201710f | Plasma | 1 |
| 22650177 | 10.1021/jm201710f | Brain | 1 |
| 22650177 | 10.1021/jm201710f | Unchecked | 1 |
| 22650177 | 10.1021/jm201710f | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine