Compound Detail
CHEMBL1770917
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CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(C(C)(C)CNCC(F)(F)F)cn1
Basic Information
| ChEMBL ID | CHEMBL1770917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZCHMOJAHQYHCT-PXNSSMCTSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
501.5
MW (Da)
4.30
ALogP
5
HBA
3
HBD
71.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.29
IC50 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.31 | 8.31 | 4.9 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 4.9 | nM | 8.31 | Inhibition of gamma-secretase in human H4 cells expressing APP Swedish mutant as... | 21269827 |
| Unchecked | EC50 | = | 5100.0 | nM | 5.29 | Effect on gamma secretase-mediated notch processing in C57BL/6 mouse fetal thymi... | 21269827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Unchecked | 2 |
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Gamma-secretase | 1 |
| 21269827 | 10.1016/j.bmcl.2010.12.118 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine