| Synonyms: | |
| Status: | Approved (1959) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N04AA02 |
| UNII: | 0FRP6G56LD |
Structure
| InChI Key | YSXKPIUOCJLQIE-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C21H29NO |
| Molecular Weight | 311.47 |
| AlogP | 3.96 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 23.47 |
| Molecular species | BASE |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 23.0 |
Pharmacology
| Primary Target | |
|---|---|
| M1 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated sodium channel
|
- | - | - | - | 63 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
- | - | - | 14 | - |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Cocaine-Related Disorders | 3 | D019970 | ClinicalTrials |
| Schizophrenia | 3 | D012559 | ClinicalTrials |
| Anxiety | 3 | D001007 | ClinicalTrials |
| Dementia | 3 | D003704 | ClinicalTrials |
| Depressive Disorder | 3 | D003866 | ClinicalTrials |
Related Entries
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 514-65-8 |
| ChEBI | 3112 |
| ChEMBL | CHEMBL1101 |
| DrugBank | DB00810 |
| DrugCentral | 374 |
| EPA CompTox | DTXSID6022680 |
| FDA SRS | 0FRP6G56LD |
| Human Metabolome Database | HMDB0014948 |
| Guide to Pharmacology | 7128 |
| KEGG | C07941 |
| PharmGKB | PA448626 |
| PubChem | 2381 |
| SureChEMBL | SCHEMBL20229360 |
CONTENTS