Molecule Details
| InChIKey | HUCJFAOMUPXHDK-UHFFFAOYSA-N |
|---|---|
| Compound Name | Xylometazoline |
| Canonical SMILES | Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.45 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06694 |
|---|---|
| Drug Name | Xylometazoline |
| CAS Number | 526-36-3 |
| Groups | approved investigational |
| ATC Codes | R01AB06 R01AA07 S01GA53 S01GA03 |
| Description | Xylometazoline is an imidazoline derivative [A228523] with sympathomimetic and nasal decongestant activity. Xylometazoline works by binding to alpha (α)-adrenergic receptors to cause vasoconstriction of nasal blood vessels.[A228508] Xylometazoline is available in over-the-counter (OTC) nasal sprays ... |
Categories: Adrenergic Agonists Adrenergic alpha-1 Receptor Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Antiarrhythmic agents Antihistamine Drugs Calcium Channel Blockers Cardiovascular Agents Decongestants and Antiallergics Nasal Decongestants Nasal Preparations Ophthalmologicals Respiratory System Agents Sensory Organs Sympathomimetics Used as Decongestants Sympathomimetics, Plain Vasoconstrictor Agents Vasodilating Agents
Cross-references: BindingDB: 30703 ChEBI: 10082 CHEMBL312448 ChemSpider: 5507 Drugs Product Database (DPD): 5869 Guide to Pharmacology: 517 IUPHAR: 517 C07913 D08684 PharmGKB: PA165958368 PubChem:5709 PubChem:99443248 RxCUI: 39841 Wikipedia: Xylometazoline ZINC: ZINC000000057534
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 9.2 | Ki | ChEMBL;BindingDB |
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.0 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | agonist | targets |
| P18089 | ADRA2B | Alpha-2B adrenergic receptor | agonist | targets |
| P18825 | ADRA2C | Alpha-2C adrenergic receptor | agonist | targets |
| P25100 | ADRA1D | Alpha-1D adrenergic receptor | agonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | agonist | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | agonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | partial agonist | targets |