| Synonyms: | |
| Status: | Approved (2016) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N05AX17 |
| UNII: | JZ963P0DIK |
Structure
| InChI Key | RKEWSXXUOLRFBX-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C25H34FN3O2 |
| Molecular Weight | 427.56 |
| AlogP | 4.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 44.81 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 31.0 |
Pharmacology
| Primary Target | |
|---|---|
| 5-HT2A receptor |
| 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
|
- | 9-22 | - | - | 92 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Neurodegenerative Diseases | 3 | D019636 | ClinicalTrials |
| Depressive Disorder, Major | 3 | D003865 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Tourette Syndrome | 0 | D005879 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 706779-91-1 |
| ChEBI | 133017 |
| ChEMBL | CHEMBL2111101 |
| DrugBank | DB05316 |
| DrugCentral | 5142 |
| FDA SRS | JZ963P0DIK |
| Guide to Pharmacology | 8423 |
| PubChem | 10071196 |
| SureChEMBL | SCHEMBL675165 |
| ZINC | ZINC000016159083 |
CONTENTS