Molecule Details
| InChIKey | FVTWTVQXNAJTQP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Umeclidinium |
| Canonical SMILES | OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB09076 |
|---|---|
| Drug Name | Umeclidinium |
| CAS Number | 869185-19-3 |
| Groups | approved investigational |
| ATC Codes | R03AL08 R03AL03 R03BB07 |
| Description | Umeclidinium is a long-acting muscarinic antagonist (LAMA) used as a maintenance treatment for symptoms of chronic obstructive pulmonary disease (COPD). COPD is a progressive obstructive lung disease characterized by shortness of breath, cough, sputum production, and chronically poor airflow with a ... |
Categories: Adrenergics, Inhalants Agents producing tachycardia Agents to Treat Airway Disease Anticholinergic Agents Antimuscarinics Antispasmodics Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Drugs for Obstructive Airway Diseases Muscarinic Antagonists OCT1 substrates OCT2 Substrates P-glycoprotein substrates Pulmonary Disease, Chronic Obstructive, drug therapy
Cross-references: BindingDB: 50267614 ChEBI: 79041 CHEMBL1187833 ChemSpider: 9693858 Drugs Product Database (DPD): 22230 D10180 PubChem:11519070 PubChem:347827824 RxCUI: 1487514 Wikipedia: Umeclidinium_bromide ZINC: ZINC000034608502
Target Activities (3)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | Alpha-1-acid glycoprotein 1 | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | 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 |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |