Molecule Details
| InChIKey | WYWIFABBXFUGLM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Oxymetazoline |
| Canonical SMILES | Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.23 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00935 |
|---|---|
| Drug Name | Oxymetazoline |
| CAS Number | 1491-59-4 |
| Groups | approved investigational |
| ATC Codes | S01GA04 D11AX27 R01AB07 R01AA05 |
| Description | Oxymetazoline is an imidazole derivative and a potent, direct-acting alpha (α)-adrenergic agonist with affinity to both α<sub>1</sub>- and α<sub>2</sub>-adrenoceptors.[A215542] Oxymetazoline is available in various formulations with a wide variety of clinical implications. The topical formulation of... |
Categories: Adrenergic Agents Adrenergic Agonists Adrenergic alpha-1 Receptor Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Autonomic Agents Cardiovascular Agents Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 Substrates Decongestants and Antiallergics Dermatologicals Imidazoles Increased Sympathetic Activity Nasal Decongestants Nasal Preparations Neurotransmitter Agents Ophthalmologicals Peripheral Nervous System Agents Respiratory System Agents Sensory Organs Sympathomimetics Sympathomimetics Used as Decongestants Sympathomimetics, Plain UGT1A9 Substrates Vasoconstriction Vasoconstrictor Agents
Cross-references: BindingDB: 30712 ChEBI: 7862 CHEMBL762 ChemSpider: 4475 Drugs Product Database (DPD): 10195 Guide to Pharmacology: 124 IUPHAR: 124 C07363 D08322 PDB: J5C PharmGKB: PA164748840 PubChem:4636 PubChem:46505622 RxCUI: 7812 Therapeutic Targets Database: DAP000235 Wikipedia: Oxymetazoline ZINC: ZINC000000057435
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28222 | HTR1B | Homo sapiens | Human | PF00001 | 9.6 | Ki | ChEMBL;BindingDB |
| P28221 | HTR1D | Homo sapiens | Human | PF00001 | 9.4 | Ki | ChEMBL;BindingDB |
| Q9Y2I1 | NISCH | Homo sapiens | Human | PF25625 PF23142 PF00787 | 8.2 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 8.1 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.8 | Ki | BindingDB |
| P10635 | CYP2D6 | Homo sapiens | Human | PF00067 | 6.7 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P28566 | HTR1E | Homo sapiens | Human | PF00001 | 6.4 | Ki | BindingDB |
| P08173 | CHRM4 | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P50406 | HTR6 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
| P08912 | CHRM5 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (13)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60656 | O60656 | UDP-glucuronosyltransferase 1A9 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P08908 | HTR1A | 5-hydroxytryptamine receptor 1A | agonist | targets |
| 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 |
| P28221 | HTR1D | 5-hydroxytryptamine receptor 1D | agonist | targets |
| P28222 | HTR1B | 5-hydroxytryptamine receptor 1B | agonist | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | agonist | targets |
| P08909 | Htr2c | 5-hydroxytryptamine receptor 2C | partial agonist | targets |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | partial agonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | partial agonist | targets |