Molecule Details
| InChIKey | QZZUEBNBZAPZLX-QFIPXVFZSA-N |
|---|---|
| Compound Name | Indacaterol |
| Canonical SMILES | CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.7 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05039 |
|---|---|
| Drug Name | Indacaterol |
| CAS Number | 312753-06-3 |
| Groups | approved investigational |
| ATC Codes | R03AC18 R03AL04 R03AL12 R03AK14 |
| Description | Indacaterol is a novel, ultra-long-acting, rapid onset β(2)-adrenoceptor agonist developed for Novartis for the once-daily management of asthma and chronic obstructive pulmonary disease. It was approved by the European Medicines Agency (EMA) on 30 November 2009 and by the FDA on 1 July 2011. It is m... |
Categories: Adrenergic Agonists Adrenergic beta-2 Receptor Agonists Adrenergic beta-Agonists Adrenergics, Inhalants Agents producing tachycardia Agents that produce hypertension Agents to Treat Airway Disease Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Drugs for Obstructive Airway Diseases Heterocyclic Compounds, Fused-Ring Indenes Long-acting beta-adrenoceptor agonists P-glycoprotein substrates Potential QTc-Prolonging Agents QTc Prolonging Agents Quinolines Selective Beta 2-adrenergic Agonists UGT1A1 Substrates
Cross-references: BindingDB: 50318159 ChEBI: 68575 CHEMBL1095777 ChemSpider: 5293751 Drugs Product Database (DPD): 21063 D09318 PharmGKB: PA165958348 PubChem:6918554 PubChem:175426936 RxCUI: 1114326 Wikipedia: Indacaterol ZINC: ZINC000035801098
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 7.1 | Ki | ChEMBL |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 7.0 | Ki | ChEMBL |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.2 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.1 | Ki | ChEMBL |