Molecule Details
| InChIKey | CUHVIMMYOGQXCV-NSHDSACASA-N |
|---|---|
| Compound Name | Dexmedetomidine |
| Canonical SMILES | Cc1cccc([C@H](C)c2c[nH]cn2)c1C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.79 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00633 |
|---|---|
| Drug Name | Dexmedetomidine |
| CAS Number | 113775-47-6 |
| Groups | approved investigational vet_approved |
| ATC Codes | N05CM18 |
| Description | An agonist of receptors, adrenergic alpha-2 that is used in veterinary medicine for its analgesic and sedative properties. It is the racemate of dexmedetomidine. |
Categories: Adrenergic Agents Adrenergic Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Analgesics Analgesics, Non-Narcotic Anesthetics Anesthetics, General Bradycardia-Causing Agents Central Nervous System Agents Central Nervous System Depressants Central alpha-2 Adrenergic Agonist Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (strength unknown) Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (strength unknown) Cytochrome P-450 CYP2E1 Substrates Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Hypnotics and Sedatives Hypotensive Agents Imidazoles Miscellaneous Anxiolytics Sedatives and Hypnotics Nervous System Neurotransmitter Agents Peripheral Nervous System Agents Psycholeptics Sensory System Agents
Cross-references: BindingDB: 50085683 ChEBI: 4466 CHEMBL778 ChemSpider: 4470605 Drugs Product Database (DPD): 20527 C07450 D00514 PDB: CZX PharmGKB: PA449256 PubChem:5311068 PubChem:46507406 RxCUI: 48937 Therapeutic Targets Database: DAP000233 Wikipedia: Dexmedetomidine ZINC: ZINC000004632106
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 10.8 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 8.3 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.5 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04798 | CYP1A1 | Cytochrome P450 1A1 | inhibitor | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | inhibitor | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | inhibitor | enzymes |
| P05181 | CYP2E1 | Cytochrome P450 2E1 | substrate | enzymes |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | agonist | targets |