| Synonyms: | |
| Status: | Phase 3 |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N06AA05 |
| UNII: | D23ZXO613C |
Structure
| InChI Key | YNZFUWZUGRBMHL-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C23H29N3O |
| Molecular Weight | 363.5 |
| AlogP | 3.31 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 29.95 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Isomerase
|
- | - | - | 13 | - | |
|
Membrane receptor
|
- | - | - | 0 | - |
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 |
| Substance-Related Disorders | 0 | D019966 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 315-72-0 |
| ChEBI | 94614 |
| ChEMBL | CHEMBL370753 |
| DrugBank | DB12930 |
| DrugCentral | 1993 |
| EPA CompTox | DTXSID3023394 |
| FDA SRS | D23ZXO613C |
| Guide to Pharmacology | 11247 |
| PubChem | 9417 |
| SureChEMBL | SCHEMBL49841 |
| ZINC | ZINC000021981303 |
CONTENTS