Molecule Details
| InChIKey | GIIZNNXWQWCKIB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Salmeterol |
| Canonical SMILES | OCc1cc(C(O)CNCCCCCCOCCCCc2ccccc2)ccc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.69 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00938 |
|---|---|
| Drug Name | Salmeterol |
| CAS Number | 89365-50-4 |
| Groups | approved investigational |
| ATC Codes | R03AK06 R03AK12 R03AC12 |
| Description | Salmeterol is a long-acting beta-2 adrenergic receptor agonist drug that is currently prescribed for the treatment of asthma and chronic obstructive pulmonary disease COPD.[L11545,L11548,L11551,L11554,L11557] It has a longer duration of action than the short-acting beta-2 adrenergic receptor agonist... |
Categories: Adrenergic Agents Adrenergic Agonists Adrenergic beta-2 Receptor Agonists Adrenergic beta-Agonists Adrenergics, Inhalants Agents Causing Muscle Toxicity Agents producing tachycardia Agents that produce hypertension Agents to Treat Airway Disease Alcohols Amines Amino Alcohols Anti-Asthmatic Agents Autonomic Agents Bronchodilator Agents Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (strong) Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs for Obstructive Airway Diseases Ethanolamines Ethylamines Long-acting beta-adrenoceptor agonists Neurotransmitter Agents OCT1 inhibitors OCT1 substrates OCT2 Inhibitors Peripheral Nervous System Agents Phenethylamines Potential QTc-Prolonging Agents QTc Prolonging Agents Respiratory System Agents Selective Beta 2-adrenergic Agonists Sympathomimetic (Adrenergic) Agents
Cross-references: BindingDB: 25771 ChEBI: 64064 CHEMBL1263 ChemSpider: 4968 Drugs Product Database (DPD): 11282 Guide to Pharmacology: 559 IUPHAR: 559 C07241 D05792 PharmGKB: PA451300 PubChem:5152 PubChem:46508024 RxCUI: 36117 Therapeutic Targets Database: DAP000947 Wikipedia: Salmeterol
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| Q5BJF2 | TMEM97 | Homo sapiens | Human | PF05241 | 7.5 | Ki | ChEMBL |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.8 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.6 | Ki | ChEMBL |
| P31645 | SLC6A4 | Homo sapiens | Human | PF03491 PF00209 | 6.5 | Ki | ChEMBL |
| P23975 | SLC6A2 | Homo sapiens | Human | PF00209 | 6.4 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.2 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02763 | P02763 | alpha1-acid glycoprotein | binder | carriers |
| P02768 | ALB | Albumin | binder | carriers |
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| P24462 | CYP3A7 | Cytochrome P450 3A7 | substrate | enzymes |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | agonist | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | inverse agonist | targets |
| P13945 | ADRB3 | Beta-3 adrenergic receptor | inverse agonist | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | inhibitor | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| O75751 | SLC22A3 | Solute carrier family 22 member 3 | inhibitor | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | substrate | transporters |