Molecule Details
| InChIKey | LZCOQTDXKCNBEE-IKIFYQGPSA-N |
|---|---|
| Canonical SMILES | C[N+]1(C)[C@@H]2C[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.59 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11315 |
|---|---|
| Drug Name | Methscopolamine |
| CAS Number | 13265-10-6 |
| Groups | approved |
| ATC Codes | A03CB01 S01FA03 A03BB03 |
| Description | Methscopolamine is a quaternary ammonium derivative of scopolamine and antagonist at muscarininc (mACh) receptors. Methscopolamine bromide is the most common form of the active ingredient in oral pharmaceutical products. The oral tablets are used as an adjunct therapy for the treatment of peptic ulc... |
Categories: Agents producing tachycardia Alimentary Tract and Metabolism Alkaloids Anticholinergic Agents Autonomic Agents Aza Compounds Azabicyclo Compounds Belladonna Alkaloids, Semisynthetic, Quaternary Ammonium Compounds Belladonna and Derivatives, Plain Drugs for Functional Gastrointestinal Disorders Muscarinic Antagonists Mydriatics and Cycloplegics Ophthalmologicals Parasympatholytics Peripheral Nervous System Agents Scopolamine Derivatives Sensory Organs Synthetic Anticholinergics, Quaternary Ammonium Compounds Tropanes
Cross-references: BindingDB: 50241132 ChEBI: 135361 CHEMBL376897 ChemSpider: 21106347 PDB: 3C0 PubChem:71183 PubChem:347827965 RxCUI: 89785 Wikipedia: Methylscopolamine_bromide ZINC: ZINC000100047524
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 9.8 | Ki | ChEMBL |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 9.7 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 9.5 | Ki | ChEMBL |
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 9.5 | Ki | ChEMBL |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 9.4 | Ki | ChEMBL |