Molecule Details
| InChIKey | NZUPCNDJBJXXRF-UHFFFAOYSA-O |
|---|---|
| Compound Name | Bethanechol |
| Canonical SMILES | CC(C[N+](C)(C)C)OC(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01019 |
|---|---|
| Drug Name | Bethanechol |
| CAS Number | 674-38-4 |
| Groups | approved |
| ATC Codes | N07AB02 |
| Description | Bethanechol is a synthetic ester that was initially synthesized in 1935.[A232905,L32539] As a cholinergic agent, bethanechol is similar in structure and pharmacological function to acetylcholine and is used in specific cases when stimulation of the parasympathetic nervous system is necessary.[A23290... |
Categories: Acids, Acyclic Amines Ammonium Compounds Autonomic Agents Bethanechol Compounds Carbamates Choline Esters Cholinergic Agents Cholinergic Agonists Muscarinic Agonists Nervous System Neurotransmitter Agents Nitrogen Compounds Onium Compounds Parasympathomemetic (Cholinergic) Agents Parasympathomimetics Peripheral Nervous System Agents Quaternary Ammonium Compounds Trimethyl Ammonium Compounds
Cross-references: BindingDB: 39342 ChEBI: 3084 CHEMBL1482 ChemSpider: 2280 Drugs Product Database (DPD): 5440 Guide to Pharmacology: 297 IUPHAR: 297 C06850 PharmGKB: PA448613 PubChem:2370 PubChem:46507707 RxCUI: 19257 Therapeutic Targets Database: DAP000263 Wikipedia: Bethanechol
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | agonist | targets |
| P08173 | CHRM4 | Muscarinic acetylcholine receptor M4 | agonist | targets |
| P08912 | CHRM5 | Muscarinic acetylcholine receptor M5 | agonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | agonist | targets |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | agonist | targets |