Synonyms: | |
Status: | Approved (1959) |
Entry Type: | Small molecule |
Molecule Category: | Parent |
ATC: | N04AA02 |
UNII: | 0FRP6G56LD |
InChI Key | YSXKPIUOCJLQIE-UHFFFAOYSA-N |
---|---|
Smile | |
InChI |
|
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 |
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 | - |
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 |
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 |