Compound Detail
CHEMBL1770905
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Basic Information
| ChEMBL ID | CHEMBL1770905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEYWVZNITKXMAA-WCSIJFPASA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.6
MW (Da)
3.97
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 7.27 | 7.17 | 53.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 53.9 | nM | 7.27 | Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant as... | 21269827 |
| Gamma-secretase | IC50 | = | 85.7 | nM | 7.07 | Inhibition of gamma-secretase in human HeLa cells assessed as inhibition of amyl... | 21269827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Gamma-secretase | 2 |
| 21269827 | 10.1016/j.bmcl.2010.12.118 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine