Compound Detail
CHEMBL2159688
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O=S(=O)(c1ccc(Cl)cc1)[C@]12CCO[C@H](CCO)[C@H]1COc1c(F)ccc(F)c12
Basic Information
| ChEMBL ID | CHEMBL2159688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OIAYKSYVOPWLJU-WIBUTAKZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
3.47
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Presenilin-1 CHEMBL2473 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Presenilin-1 | IC50 | = | 320.0 | nM | 6.5 | 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