Compound Detail
CHEMBL377367
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CCCN1C[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2NS1(=O)=O
Basic Information
| ChEMBL ID | CHEMBL377367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBEHBYVZGXFFMR-UZQPLGKSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.0
MW (Da)
4.02
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 8.93 | 8.93 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 1.17 | nM | 8.93 | Inhibition of gamma secretase | 16617016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16617016 | 10.1016/j.bmcl.2005.12.083 | Liver microsomes | 1 |
| 16617016 | 10.1016/j.bmcl.2005.12.083 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine