Compound Detail
CHEMBL4476008
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C[C@H](NC(=O)CCC(F)(F)F)C(=O)N[C@H]1C(=O)N(CCO)c2ncccc2-c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL4476008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCBAQKQAINQRFW-SCLBCKFNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.4
MW (Da)
2.09
ALogP
5
HBA
3
HBD
111.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 9.39 | 9.39 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 0.41 | nM | 9.39 | Inhibition of gamma secretase (unknown origin) mediated Notch signaling | 27045975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27045975 | 10.1021/acs.jmedchem.5b01516 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine