Compound Detail
CHEMBL235427
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CC(C(=O)NCc1cc(F)cc(F)c1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL235427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMPVSJOLUDGEGQ-GMTBNIFVSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.72
ALogP
3
HBA
2
HBD
78.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.51 | 8.285 | 3.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 3.1 | nM | 8.51 | Inhibition of human gamma secretase assessed as amyloid-beta40 peptide productio... | 17869099 |
| Gamma-secretase | IC50 | = | 8.8 | nM | 8.06 | Inhibition of human gamma secretase in HEK293 cells by reporter gene assay | 17869099 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17869099 | 10.1016/j.bmcl.2007.07.078 | Gamma-secretase | 2 |
| 17869099 | 10.1016/j.bmcl.2007.07.078 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine