| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05AD03 |
| UNII: | J8WA3K39B7 |
Structure
| InChI Key | DKMFBWQBDIGMHM-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C16H22FNO |
| Molecular Weight | 263.36 |
| AlogP | 3.52 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 20.31 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Transferase
|
- | - | - | - | 16.3 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -9.44-18.11 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3575-80-2 |
| ChEBI | 93626 |
| ChEMBL | CHEMBL1531134 |
| DrugBank | DB09224 |
| DrugCentral | 1677 |
| EPA CompTox | DTXSID0023298 |
| FDA SRS | J8WA3K39B7 |
| PubChem | 15387 |
| SureChEMBL | SCHEMBL146287 |
| ZINC | ZINC000000001672 |
CONTENTS