Molecule Details
| InChIKey | VPJXQGSRWJZDOB-UHFFFAOYSA-O |
|---|---|
| Compound Name | Carbamylcholine |
| Canonical SMILES | C[N+](C)(C)CCOC(N)=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.01 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00411 |
|---|---|
| Drug Name | Carbamoylcholine |
| CAS Number | 462-58-8 |
| Groups | approved |
| ATC Codes | N07AB01 S01EB02 |
| Description | Carbamoylcholine, also known as carbachol, is a muscarinic agonist discovered in 1932.[A226315] Carbamoylcholine was initially used as a treatment for migraines,[A226365] induction of diuresis,[A226370] and other parasympathetic effects. Carbamoylcholine was granted FDA approval on 28 September 1972... |
Categories: Alcohols Amines Amino Alcohols Ammonium Compounds Analgesics Analgesics, Non-Narcotic Antiglaucoma Preparations and Miotics Autonomic Agents Cardiotonic Agents Cardiovascular Agents Central Nervous System Agents Choline Esters Cholinergic Agents Cholinergic Agonists Cholinergic Receptor Agonist Compounds used in a research, industrial, or household setting Ethanolamines Miotics Nervous System Neurotransmitter Agents Nitrogen Compounds Onium Compounds Ophthalmologicals Parasympathomemetic (Cholinergic) Agents Parasympathomimetics Peripheral Nervous System Agents Protective Agents Quaternary Ammonium Compounds Sensory Organs Sensory System Agents Trimethyl Ammonium Compounds
Cross-references: BindingDB: 50004656 ChEBI: 3385 CHEMBL965 ChemSpider: 2454 Drugs Product Database (DPD): 9622 Guide to Pharmacology: 298 IUPHAR: 298 D00524 PDB: CCE PharmGKB: PA448784 PubChem:5831 PubChem:46509115 RxCUI: 1546387 Therapeutic Targets Database: DAP000347 Wikipedia: Carbachol ZINC: ZINC000003079342
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL;BindingDB |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 6.5 | Ki | ChEMBL;BindingDB |
| P17787 | CHRNB2 | Homo sapiens | Human | PF02931 PF02932 | 6.1 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P47712 | PLA2G4A | Cytosolic phospholipase A2 | inducer | enzymes |
| P22303 | ACHE | Acetylcholinesterase | substrate | enzymes |
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | agonist | targets |
| P08173 | CHRM4 | Muscarinic acetylcholine receptor M4 | agonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | agonist | targets |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | agonist | targets |
| Q15822 | CHRNA2 | Neuronal acetylcholine receptor subunit alpha-2 | agonist | targets |