Compound Detail
CHEMBL209888
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=S1(=O)NC[C@@H]2C[C@](c3cc(F)ccc3F)(S(=O)(=O)c3ccc(Cl)cc3)CC[C@@H]2N1C1CC1
Basic Information
| ChEMBL ID | CHEMBL209888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOQSXWCBLGWFAE-JQOQJDEVSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.0
MW (Da)
3.77
ALogP
4
HBA
1
HBD
83.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
IC50 1 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-secretase CHEMBL2094135 | IC50 | 10.4 | 10.4 | 0.0 | 1 |
| Mus musculus CHEMBL375 | EC50 | 7.7 | 7.34 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-secretase | IC50 | = | 0.04 | nM | 10.4 | Inhibition of gamma secretase | 16617016 |
| Mus musculus | EC50 | = | 20.0 | nM | 7.7 | Brain concentration for reduction of DEA-extractable brain beta amyloid in orall... | 16617016 |
| Mus musculus | EC50 | = | 104.0 | nM | 6.98 | Plasma concentration for reduction of DEA-extractable brain beta amyloid in oral... | 16617016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16617016 | 10.1016/j.bmcl.2005.12.083 | Mus musculus | 4 |
| 16617016 | 10.1016/j.bmcl.2005.12.083 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine