Molecule Details
| InChIKey | ANGKOCUUWGHLCE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Glycopyrronium |
| Canonical SMILES | C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.66 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00986 |
|---|---|
| Drug Name | Glycopyrronium |
| CAS Number | 740028-90-4 |
| Groups | approved investigational vet_approved |
| ATC Codes | R03AL09 R03AL04 R03BB06 D11AA01 A03AB02 R03AL11 R03AL07 A03CA05 R03AL12 |
| Description | Glycopyrronium, also known as NVA237 or glycopyrrolate, is a racemic mixture of two enantiomers.[L33110] They are both quaternary ammonium compounds and long acting muscarinic antagonists.[L33110] It is one of the most commonly prescribed anticholinergic medications.[A233535,A233540] Early research ... |
Categories: Adjuvants, Anesthesia Adrenergics, Inhalants Agents producing tachycardia Alimentary Tract and Metabolism Amines Ammonium Compounds Anticholinergic Agents Antihidrotics Antimuscarinics Antispasmodics Central Nervous System Agents Cholinergic Agents Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C18 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Dermatologicals Drugs for Functional Gastrointestinal Disorders Drugs for Obstructive Airway Diseases MATE 1 Substrates MATE substrates Muscarinic Antagonists Neurotransmitter Agents Nitrogen Compounds OCT2 Substrates Onium Compounds Pyrrolidines Quaternary Ammonium Compounds Synthetic Anticholinergics, Quaternary Ammonium Compounds
Cross-references: BindingDB: 50417445 ChEBI: 94449 CHEMBL1201335 ChemSpider: 3374 Drugs Product Database (DPD): 9967 D00540 PharmGKB: PA164754882 PubChem:9933193 PubChem:46509133 RxCUI: 1546438 Therapeutic Targets Database: DAP001116 Wikipedia: Glycopyrronium_bromide
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 9.9 | IC50 | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 9.8 | IC50 | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 9.7 | IC50 | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 9.6 | IC50 | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 9.3 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (16)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | binder | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | substrate | enzymes |
| P33260 | CYP2C18 | Cytochrome P450 2C18 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | antagonist | targets |
| P08173 | CHRM4 | Muscarinic acetylcholine receptor M4 | antagonist | targets |
| P08912 | CHRM5 | Muscarinic acetylcholine receptor M5 | antagonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | antagonist | targets |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | antagonist | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | substrate | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | substrate | transporters |