Compound Detail
CHEMBL2151216
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Basic Information
| ChEMBL ID | CHEMBL2151216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWRMNWUEZKGFJK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
5.39
ALogP
6
HBA
1
HBD
56.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.0 | 6.87 | 101.0 | 2 |
| Gamma-secretase CHEMBL2094135 | IC50 | 6.74 | 6.74 | 182.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 101.0 | nM | 7.0 | Inhibition of gamma secretase assessed as reduction in Abeta42 production | 21141968 |
| Gamma-secretase | IC50 | = | 182.0 | nM | 6.74 | Modulation of gamma-secretase in human SK-N-BE(2) cells expressing wild type APP... | 22650177 |
| Unchecked | IC50 | = | 182.0 | nM | 6.74 | Inhibition of gamma secretase in mouse Neuro2 cells expressing endogenous levels... | 31122869 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22650177 | 10.1021/jm201710f | Mus musculus | 2 |
| 22650177 | 10.1021/jm201710f | Gamma-secretase | 2 |
| 21141968 | 10.1021/jm101168r | Unchecked | 1 |
| 21141968 | 10.1021/jm101168r | Mus musculus | 1 |
| 22650177 | 10.1021/jm201710f | Unchecked | 1 |
| 22650177 | 10.1021/jm201710f | No relevant target | 1 |
| 22650177 | 10.1021/jm201710f | Plasma | 1 |
| 22650177 | 10.1021/jm201710f | Brain | 1 |
| 22650177 | 10.1021/jm201710f | Beta-secretase 1 | 1 |
| 31122869 | 10.1016/j.bmcl.2019.05.023 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine