Synonyms: | |
Status: | Approved (2016) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N05AX17 |
UNII: | JZ963P0DIK |
InChI Key | RKEWSXXUOLRFBX-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 |
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 |
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 |