Trade Names: | |
Synonyms: | |
Status: | Approved (1982) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N05AA02 |
UNII: | 9G0LAW7ATQ |
InChI Key | VRQVVMDWGGWHTJ-CQSZACIVSA-N |
---|---|
Smile | |
InChI |
|
Property Name | Value |
---|---|
Molecular Formula | C19H24N2OS |
Molecular Weight | 328.48 |
AlogP | 4.5 |
Hydrogen Bond Acceptor | 4.0 |
Hydrogen Bond Donor | 0.0 |
Number of Rotational Bond | 5.0 |
Polar Surface Area | 15.71 |
Molecular species | BASE |
Aromatic Rings | 2.0 |
Heavy Atoms | 23.0 |
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
---|---|---|---|---|---|---|
Transporter
|
- | 9600 | - | - | - |
Mesh Heading | Maximum Phase | Mesh ID | Reference |
---|---|---|---|
Schizophrenia | 3 | D012559 | ClinicalTrials |
Anxiety | 3 | D001007 | ClinicalTrials |
Dementia | 3 | D003704 | ClinicalTrials |
Depressive Disorder | 3 | D003866 | ClinicalTrials |
Resources | Reference |
---|---|
CAS NUMBER | 60-99-1 |
ChEBI | 6838 |
ChEMBL | CHEMBL1764 |
DrugBank | DB01403 |
DrugCentral | 1752 |
EPA CompTox | DTXSID1023289 |
FDA SRS | 9G0LAW7ATQ |
Human Metabolome Database | HMDB0015474 |
Guide to Pharmacology | 7603 |
KEGG | C07192 |
PharmGKB | PA164743234 |
PubChem | 72287 |
SureChEMBL | SCHEMBL25462 |
ZINC | ZINC000000020246 |