Molecule Details
| InChIKey | GJSURZIOUXUGAL-UHFFFAOYSA-N |
|---|---|
| Compound Name | Clonidine |
| Canonical SMILES | Clc1cccc(Cl)c1NC1=NCCN1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.82 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00575 |
|---|---|
| Drug Name | Clonidine |
| CAS Number | 4205-90-7 |
| Groups | approved investigational |
| ATC Codes | S01EA04 C02LC01 C02AC01 N02CX02 C02LC51 |
| Description | Clonidine is an imidazole derivate that acts as an agonist of alpha-2 adrenoceptors.[A180559] This activity is useful for the treatment of hypertension, severe pain, and ADHD.[L7237,L54536,L7240,L7243,L7246] Clonidine was granted FDA approval on 3 September 1974.[L7237] |
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 Analgesics Anesthetics Anesthetics, General Antiadrenergic Agents, Centrally Acting Antiglaucoma Preparations and Miotics Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Antimigraine Preparations Autonomic Agents Bradycardia-Causing Agents Cardiovascular Agents Central Alpha-agonists Central Nervous System Agents Central Nervous System Depressants Central alpha-2 Adrenergic Agonist Cytochrome P-450 CYP1A1 Substrates Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 CYP1A2 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP2D6 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates with a Narrow Therapeutic Index Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A5 Substrates with a Narrow Therapeutic Index Cytochrome P-450 Substrates Hypotensive Agents Imidazoles Imidazoline Receptor Agonists Imidazolines Narrow Therapeutic Index Drugs Nervous System Neurotransmitter Agents Ophthalmologicals Peripheral Nervous System Agents Sensory Organs Sensory System Agents Sympatholytics Sympathomimetics in Glaucoma Therapy
Cross-references: BindingDB: 50225285 ChEBI: 46632 CHEMBL134 ChemSpider: 2701 Drugs Product Database (DPD): 2564 Guide to Pharmacology: 516 IUPHAR: 516 D00281 PDB: CLU PharmGKB: PA449051 PubChem:2803 PubChem:46508119 RxCUI: 2599 Therapeutic Targets Database: DAP000231 Wikipedia: Clonidine ZINC: ZINC000000896484
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.7 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.6 | Ki | ChEMBL |
| Q9Y2I1 | NISCH | Homo sapiens | Human | PF25625 PF23142 PF00787 | 7.3 | Ki | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| O15245 | SLC22A1 | Homo sapiens | Human | PF00083 | 6.3 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.3 | Ki | ChEMBL |
| P34969 | HTR7 | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
DrugBank Target Actions (16)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P04798 | CYP1A1 | Cytochrome P450 1A1 | substrate | enzymes |
| P05177 | CYP1A2 | Cytochrome P450 1A2 | substrate | enzymes |
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P20815 | CYP3A5 | Cytochrome P450 3A5 | substrate | enzymes |
| 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 |
| Q16853 | AOC3 | Amine oxidase [copper-containing] 3 | inhibitor | targets |
| O75751 | SLC22A3 | Solute carrier family 22 member 3 | inhibitor | transporters |
| O76082 | O76082 | Organic cation/carnitine transporter 2 | inhibitor | transporters |
| Q9H015 | Q9H015 | Solute carrier family 22 member 4 | inhibitor | transporters |