Compound Detail
CHEMBL2396779
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CC(C)[C@@H]1c2c[nH]nc2-c2cc(F)c(F)cc2N1S(=O)(=O)c1ccc(C(F)(F)F)cc1
Basic Information
| ChEMBL ID | CHEMBL2396779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEHJQIXPWCMXDA-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.4
MW (Da)
5.28
ALogP
3
HBA
1
HBD
66.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.85 | 8.31 | 1.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 1.4 | nM | 8.85 | Inhibition of partially purified human gamma-secretase-mediated cleavage of MBP-... | 23713656 |
| Gamma-secretase | IC50 | = | 17.0 | nM | 7.77 | Inhibition of partially purified human gamma-secretase-mediated cleavage of notc... | 23713656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23713656 | 10.1021/jm301741t | Liver microsomes | 4 |
| 23713656 | 10.1021/jm301741t | Liver | 4 |
| 23713656 | 10.1021/jm301741t | Unchecked | 3 |
| 23713656 | 10.1021/jm301741t | Gamma-secretase | 3 |
Data from ChEMBL 36 via Core Engine