| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1960) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | S01FA06 |
| UNII: | N0A3Z5XTC6 |
| InChI Key | BGDKAVGWHJFAGW-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H20N2O2 |
| Molecular Weight | 284.36 |
| AlogP | 2.21 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 53.43 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 21.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| ANTAGONIST | Muscarinic acetylcholine receptor M3 antagonist |
| Primary Target | |
|---|---|
| M3 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C19
|
- | 1000 | - | - | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2C
Cytochrome P450 2C9
|
- | 1000 | - | - | - | |
|
Enzyme
Hydrolase
|
- | - | - | - | 1.021 | |
|
Enzyme
|
- | 1000 | - | - | 1.021 | |
|
Epigenetic regulator
Eraser
Histone deacetylase
HDAC class IIb
|
- | - | - | - | -8.99--5.17 | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
- | 105 | - | 30 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | - | - | - | 75.11 | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 150900 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Eye Diseases | 3 | D005128 | ClinicalTrials |
| Sialorrhea | 2 | D012798 | ClinicalTrials |
| Presbyopia | 2 | D011305 | ClinicalTrials |
| Parkinson Disease | 2 | D010300 | ClinicalTrials |
| Ocular Hypertension | 1 | D009798 | ClinicalTrials |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1508-75-4 |
| ChEBI | 9757 |
| ChEMBL | CHEMBL1200604 |
| DrugBank | DB00809 |
| DrugCentral | 2774 |
| EPA CompTox | DTXSID8045220 |
| FDA SRS | N0A3Z5XTC6 |
| Human Metabolome Database | HMDB14947 |
| Guide to Pharmacology | 7319 |
| KEGG | D00397 |
| PharmGKB | PA164749389 |
| PubChem | 5593 |
| SureChEMBL | SCHEMBL23975 |
| ZINC | ZINC00057533 |