Compound Detail
CHEMBL397844
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CC(C)C[C@H](NC(=O)[C@@H](O)c1ccccc1)C(=O)NC1C(=O)N(C)N=Cc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL397844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFKAEWHVIHHSLK-YSTUSHMSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
1.91
ALogP
5
HBA
3
HBD
111.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 0.4 | nM | 9.4 | Inhibition of gamma secretase assessed as reduction of amyloid beta level in H4 ... | 17502137 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502137 | 10.1016/j.bmcl.2007.04.082 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine