Molecule Details
| InChIKey | ASMXXROZKSBQIH-VITNCHFBSA-N |
|---|---|
| Compound Name | Aclidinium |
| Canonical SMILES | O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.77 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08897 |
|---|---|
| Drug Name | Aclidinium |
| CAS Number | 727649-81-2 |
| Groups | approved |
| ATC Codes | R03BB05 R03AL05 |
| Description | Aclidinium is an anticholinergic for the long-term management of chronic obstructive pulmonary disease (COPD). It has a much higher propensity to bind to muscarinic receptors than nicotinic receptors. FDA approved on July 24, 2012. |
Categories: Adrenergics, Inhalants Agents producing tachycardia Agents to Treat Airway Disease Alkaloids Anticholinergic Agents Antimuscarinics Antispasmodics Aza Compounds Azabicyclo Compounds Cholinesterase substrates Drugs for Obstructive Airway Diseases Drugs that are Mainly Renally Excreted Muscarinic Antagonists
Cross-references: BindingDB: 50296331 ChEBI: 65346 CHEMBL1194325 ChemSpider: 9609381 Drugs Product Database (DPD): 22129 D08837 PubChem:11434515 PubChem:175427140 RxCUI: 1303098 Wikipedia: Aclidinium_bromide ZINC: ZINC000030691727
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11229 | CHRM1 | Homo sapiens | Human | PF00001 | 10.0 | IC50 | ChEMBL;BindingDB |
| P08172 | CHRM2 | Homo sapiens | Human | PF00001 | 9.8 | IC50 | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 9.8 | IC50 | ChEMBL;BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 9.7 | IC50 | ChEMBL;BindingDB |
| P20309 | CHRM3 | Homo sapiens | Human | PF00001 | 9.5 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (6)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P06276 | BCHE | Cholinesterase | 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 |