Molecule Details
| InChIKey | KSMAGQUYOIHWFS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Lofexidine |
| Canonical SMILES | CC(Oc1c(Cl)cccc1Cl)C1=NCCN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.4 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04948 |
|---|---|
| Drug Name | Lofexidine |
| CAS Number | 31036-80-3 |
| Groups | approved investigational |
| ATC Codes | N07BC04 |
| Description | Lofexidine is a non-opioid centrally acting alpha2-adrenergic receptor agonist that was first approved for the treatment of opioid withdrawal in the United Kingdom in 1992.[A33084] It was first studied for use as an antihypertensive in 1980, but its researched was stopped as it was found less effect... |
Categories: Adrenergic Agents Adrenergic Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Antidepressive Agents Antihypertensive Agents Cardiovascular Agents Central Nervous System Agents Central Nervous System Depressants Central alpha-2 Adrenergic Agonist Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Drugs Used in Addictive Disorders Drugs Used in Opioid Dependence Drugs that are Mainly Renally Excreted Hypotensive Agents Imidazoles Imidazolines MATE 1 Inhibitors MATE inhibitors Moderate Risk QTc-Prolonging Agents Nervous System Neurotransmitter Agents Peripheral Nervous System Agents QTc Prolonging Agents Sensory System Agents Serotonergic Drugs Shown to Increase Risk of Serotonin Syndrome Serotonin 5-HT2 Receptor Agonists Serotonin Agents Serotonin Receptor Agonists
Cross-references: BindingDB: 50019646 ChEBI: 51368 CHEMBL17860 ChemSpider: 28460 PharmGKB: PA164744510 PubChem:30668 PubChem:46508453 RxCUI: 28863 Therapeutic Targets Database: DAP000064 Wikipedia: Lofexidine
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 8.4 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P08908 | HTR1A | Homo sapiens | Human | PF00001 | 6.9 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | 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 |
| P28221 | HTR1D | 5-hydroxytryptamine receptor 1D | agonist | targets |
| P28335 | HTR2C | 5-hydroxytryptamine receptor 2C | agonist | targets |
| P34969 | HTR7 | 5-hydroxytryptamine receptor 7 | agonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | agonist | targets |
| Q2M3G0 | Q2M3G0 | ATP-binding cassette sub-family B member 5 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |