Compound Detail
CHEMBL2159686
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
CS(=O)(=O)CC[C@H]1OCC[C@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]12
Basic Information
| ChEMBL ID | CHEMBL2159686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMXSRXZYBDALJG-FQELHTAISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
507.0
MW (Da)
3.52
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.62
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Presenilin-1 CHEMBL2473 | IC50 | 6.42 | 6.42 | 377.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Presenilin-1 | IC50 | = | 377.0 | nM | 6.42 | Inhibition of PS1 gamma-secretase assessed as reduction of amyloid beta-40 produ... | 24900404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900404 | 10.1021/ml300044f | Presenilin-1 | 2 |
| 24900404 | 10.1021/ml300044f | Unchecked | 1 |
| 24900404 | 10.1021/ml300044f | Presenilin-2 | 1 |
Data from ChEMBL 36 via Core Engine