Compound Detail
CHEMBL511375
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Cn1nc(-c2ccc3c(c2)CC2CCC(C3)C23CN(CC(F)(F)F)S(=O)(=O)N3)cc1-c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL511375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKOIUXVVGKZJDS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
534.6
MW (Da)
4.47
ALogP
4
HBA
1
HBD
67.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 0.21 | nM | 9.68 | Inhibition of gamma secretase in human SH-SY5Y cells by HTRF assay | 19432431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19432431 | 10.1021/jm900056p | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine