| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1974) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | N07AX01 |
| UNII: | 01MI4Q9DI3 |
Structure
| InChI Key | QCHFTSOMWOSFHM-WPRPVWTQSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.26 |
| AlogP | 1.16 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 44.12 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 15.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| AGONIST | Muscarinic acetylcholine receptor M1 agonist | PubMed |
| Primary Target | |
|---|---|
| M3 receptor |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2A
Cytochrome P450 2A6
|
- | - | 3600 | 3000 | - | |
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2A
|
- | - | 3000 | 1400 | - | |
|
Membrane receptor
Family A G protein-coupled receptor
Small molecule receptor (family A GPCR)
Monoamine receptor
Acetylcholine receptor
|
18-8792 | 68-7600 | 2692-2692 | 83-3670 | - | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC22 family of organic cation and anion transporters
|
- | - | - | - | 17 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Glaucoma, Angle-Closure | 4 | D015812 | ClinicalTrials |
| Glaucoma | 4 | D005901 | ClinicalTrials |
| Xerostomia | 4 | D014987 | ClinicalTrials |
| Ocular Hypertension | 4 | D009798 | ClinicalTrials |
| Presbyopia | 3 | D011305 | ClinicalTrials |
| Urinary Incontinence | 1 | D014549 | ClinicalTrials |
Related Entries
Scaffolds
Side Effects from Label
Side Effects (PT)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 92-13-7 |
| ChEBI | 8207 |
| ChEMBL | CHEMBL550 |
| DrugBank | DB01085 |
| DrugCentral | 2166 |
| EPA CompTox | DTXSID1021162 |
| FDA SRS | 01MI4Q9DI3 |
| Human Metabolome Database | HMDB0015217 |
| Guide to Pharmacology | 305 |
| KEGG | C07474 |
| PDB | 9PL |
| PharmGKB | PA450962 |
| PubChem | 5910 |
| SureChEMBL | SCHEMBL15146 |
| ZINC | ZINC000000075008 |
CONTENTS