| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05AF05 |
| UNII: | 47ISU063SG |
Structure
| InChI Key | WFPIAZLQTJBIFN-DVZOWYKESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H25ClN2OS |
| Molecular Weight | 400.98 |
| AlogP | 4.24 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.71 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Serotonin receptor
|
- | - | - | 169 | - |
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
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 53772-83-1 |
| ChEBI | 51364 |
| ChEMBL | CHEMBL53904 |
| DrugBank | DB01624 |
| DrugCentral | 2877 |
| EPA CompTox | DTXSID3048233 |
| FDA SRS | 47ISU063SG |
| Human Metabolome Database | HMDB0015561 |
| Guide to Pharmacology | 7559 |
| PharmGKB | PA452629 |
| PubChem | 5311507 |
| SureChEMBL | SCHEMBL149463 |
| ZINC | ZINC000000601293 |
CONTENTS