| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 501W00OOWA |
| EPA CompTox | DTXSID40199508 |
| InChI Key | SYTBZMRGLBWNTM-SNVBAGLBSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H13FO2 |
| Molecular Weight | 244.26 |
| AlogP | 3.68 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 37.3 |
| Molecular species | ACID |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 18.0 |
| Mechanism of Action | Action | Reference |
|---|---|---|
| Gamma-secretase modulator | MODULATOR | PubMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Oxidoreductase
|
- | - | - | - | 0-48 | |
|
Enzyme
Protease
Aspartic protease
Aspartic protease AD clan
Aspartic protease A22A subfamily
Aspartic protease A22A regulatory subfamily
|
- | - | - | - | 23 | |
|
Enzyme
|
- | - | - | - | 0-48 | |
|
Ion channel
Other ion channel
Miscellaneous ion channel
Presenilin ER Ca2+ leak channel family
|
- | - | - | - | 23 | |
|
Membrane receptor
Family A G protein-coupled receptor
Peptide receptor (family A GPCR)
Chemokine receptor
CXC chemokine receptor
|
- | - | - | - | 20 |
|
Protein: Gamma-secretase Description: Presenilin-1 Organism : Homo sapiens P49768 ENSG00000080815 |
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|
Protein: Gamma-secretase Description: Presenilin-2 Organism : Homo sapiens P49810 ENSG00000143801 |
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|
Protein: Gamma-secretase Description: Gamma-secretase subunit APH-1B Organism : Homo sapiens Q8WW43 ENSG00000138613 |
||||
|
Protein: Gamma-secretase Description: Nicastrin Organism : Homo sapiens Q92542 ENSG00000162736 |
||||
|
Protein: Gamma-secretase Description: Gamma-secretase subunit APH-1A Organism : Homo sapiens Q96BI3 ENSG00000117362 |
||||
|
Protein: Gamma-secretase Description: Gamma-secretase subunit PEN-2 Organism : Homo sapiens Q9NZ42 ENSG00000205155 |
||||
| Resources | Reference |
|---|---|
| ChEBI | 38666 |
| ChEMBL | CHEMBL190083 |
| DrugBank | DB05289 |
| FDA SRS | 501W00OOWA |
| Guide to Pharmacology | 7340 |
| PDB | FLR |
| SureChEMBL | SCHEMBL26131 |
| ZINC | ZINC000000008667 |