Molecule Details
| InChIKey | OEXHQOGQTVQTAT-BHIXFJMTSA-N |
|---|---|
| Canonical SMILES | CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.81 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00332 |
|---|---|
| Drug Name | Ipratropium |
| CAS Number | 60205-81-4 |
| Groups | approved investigational |
| ATC Codes | R03BB01 R01AX03 R03AL01 R03AL02 |
| Description | Ipratropium is a quaternary ammonium derivative of [atropine][A176957] that acts as an anticholinergic agent.[A176939] It is commonly administered through inhalation which allows producing a local effect without presenting a significant systemic absorption.[A176957] Ipratropium as a therapeutic agen... |
Categories: Adrenergics, Inhalants Agents producing tachycardia Agents to Treat Airway Disease Alkaloids Anti-Asthmatic Agents Anticholinergic Agents Antimuscarinics Antispasmodics Atropine Derivatives Autonomic Agents Aza Compounds Azabicyclo Compounds Belladonna Alkaloids Bronchodilator Agents Cholinergic Agents Drugs for Obstructive Airway Diseases Muscarinic Antagonists Nasal Preparations Neurotransmitter Agents Peripheral Nervous System Agents Respiratory System Agents Solanaceous Alkaloids Tropanes
Cross-references: BindingDB: 50581210 ChEBI: 46659 CHEMBL1621597 ChemSpider: 19962157 Drugs Product Database (DPD): 1945 Guide to Pharmacology: 325 IUPHAR: 325 C07052 PharmGKB: PA450082 PubChem:657308 PubChem:46506138 RxCUI: 7213 Therapeutic Targets Database: DNC000806 Wikipedia: Ipratropium_bromide
Target Activities (3)
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P08172 | CHRM2 | Muscarinic acetylcholine receptor M2 | antagonist | targets |
| P11229 | CHRM1 | Muscarinic acetylcholine receptor M1 | antagonist | targets |
| P20309 | CHRM3 | Muscarinic acetylcholine receptor M3 | antagonist | targets |
| O76082 | O76082 | Organic cation/carnitine transporter 2 | substrate | transporters |
| Q9H015 | Q9H015 | Solute carrier family 22 member 4 | substrate | transporters |