| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N06BX02 |
| UNII: | AK5Q5FZH2R |
Structure
| InChI Key | SIXLXDIJGIWWFU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H20N2O4S2 |
| Molecular Weight | 368.48 |
| AlogP | 2.57 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 106.7 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 24.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 10.1 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -10.06--8.3 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1098-97-1 |
| ChEBI | 135554 |
| ChEMBL | CHEMBL488093 |
| DrugBank | DB13084 |
| DrugCentral | 2333 |
| EPA CompTox | DTXSID3048362 |
| FDA SRS | AK5Q5FZH2R |
| PubChem | 14190 |
| SureChEMBL | SCHEMBL150551 |
| ZINC | ZINC000037866091 |
CONTENTS