Molecule Details
| InChIKey | MTCUAOILFDZKCO-UHFFFAOYSA-N |
|---|---|
| Compound Name | Decamethonium |
| Canonical SMILES | C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.47 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01245 |
|---|---|
| Drug Name | Decamethonium |
| CAS Number | 156-74-1 |
| Groups | approved |
| ATC Codes | nan |
| Description | Decamethonium is used in anesthesia to cause paralysis. It is a short acting depolarizing muscle relaxant. It is similar to acetylcholine and acts as a partial agonist of the nicotinic acetylcholine receptor. |
Categories: Amines Bis-Trimethylammonium Compounds Central Nervous System Depressants Cholinesterase Inhibitors Neuromuscular Agents Neuromuscular Blocking Agents Neuromuscular Depolarizing Agents Neurotoxic agents Onium Compounds Peripheral Nervous System Agents Quaternary Ammonium Compounds
Cross-references: BindingDB: 50060582 ChEBI: 41934 CHEMBL1190 ChemSpider: 2862 C11733 PDB: DME PharmGKB: PA164747980 PubChem:2968 PubChem:46507737 Therapeutic Targets Database: DAP000378 Wikipedia: Decamethonium ZINC: ZINC000001532339
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 7.6 | Ki | BindingDB |
| P43681 | CHRNA4 | Homo sapiens | Human | PF02931 PF02932 | 6.2 | Ki | BindingDB |
| Q9Y5N1 | HRH3 | Homo sapiens | Human | PF00001 | 6.1 | IC50 | ChEMBL;BindingDB |
| P22303 | ACHE | Homo sapiens | Human | PF08674 PF00135 | 6.0 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P06276 | BCHE | Cholinesterase | inhibitor | enzymes |
| P17787 | CHRNB2 | Neuronal acetylcholine receptor subunit beta-2 | binder | targets |
| P43681 | CHRNA4 | Neuronal acetylcholine receptor subunit alpha-4 | binder | targets |
| P22303 | ACHE | Acetylcholinesterase | inhibitor | targets |
| P02708 | CHRNA1 | Acetylcholine receptor subunit alpha | modulator | targets |
| Q15822 | CHRNA2 | Neuronal acetylcholine receptor subunit alpha-2 | partial agonist | targets |