| Synonyms: | |
| Status: | Approved (1997) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05AH04 |
| UNII: | BGL0JSY5SI |
Structure
| InChI Key | URKOMYMAXPYINW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H25N3O2S |
| Molecular Weight | 383.52 |
| AlogP | 2.86 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 48.3 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 27.0 |
Pharmacology
| Primary Target | |
|---|---|
| 5-HT2A receptor | |
| D2 receptor |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Psychotic Disorders | 4 | D011618 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Mood Disorders | 3 | D019964 | ClinicalTrials |
| Bipolar Disorder | 3 | D001714 | ClinicalTrials |
| Bipolar Disorder | 3 | D001714 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Mental Disorders | 3 | D001523 | ClinicalTrials |
| Phobia, Social | 3 | D000072861 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Borderline Personality Disorder | 3 | D001883 | ClinicalTrials |
| Delirium | 3 | D003693 | ClinicalTrials |
| Depressive Disorder, Treatment-Resistant | 3 | D061218 | ClinicalTrials |
| Depressive Disorder, Major | 3 | D003865 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
| Alcoholism | 2 | D000437 | ClinicalTrials |
| Depression, Postpartum | 2 | D019052 | ClinicalTrials |
| Marijuana Abuse | 2 | D002189 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Attention Deficit Disorder with Hyperactivity | 2 | D001289 | ClinicalTrials |
| Anorexia Nervosa | 2 | D000856 | ClinicalTrials |
| Obsessive-Compulsive Disorder | 2 | D009771 | ClinicalTrials |
| Sleep Initiation and Maintenance Disorders | 2 | D007319 | ClinicalTrials |
| Dyskinesia, Drug-Induced | 1 | D004409 | ClinicalTrials |
| Cocaine-Related Disorders | 1 | D019970 | ClinicalTrials |
| Amphetamine-Related Disorders | 0 | D019969 | ClinicalTrials |
Related Entries
MCS
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 111974-69-7 |
| ChEBI | 8707 |
| ChEMBL | CHEMBL716 |
| DrugBank | DB01224 |
| DrugCentral | 2337 |
| EPA CompTox | DTXSID9023546 |
| FDA SRS | BGL0JSY5SI |
| Human Metabolome Database | HMDB0005021 |
| Guide to Pharmacology | 50 |
| KEGG | C07397 |
| PharmGKB | PA451201 |
| PubChem | 5002 |
| SureChEMBL | SCHEMBL7932 |
| ZINC | ZINC000019632628 |
CONTENTS