Molecule Details
| InChIKey | INJOMKTZOLKMBF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Guanfacine |
| Canonical SMILES | N=C(N)NC(=O)Cc1c(Cl)cccc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.65 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01018 |
|---|---|
| Drug Name | Guanfacine |
| CAS Number | 29110-47-2 |
| Groups | approved investigational |
| ATC Codes | C02AC02 |
| Description | Guanfacine, or BS 100-141,[A189838,A189841] is a selective alpha-A2 adrenergic receptor agonist initially indicated for the treatment of hypertension[L11274] but is now indicated as an extended release tablet for the treatment of ADHD.[L11277] Guanfacine was first described in the literature in 1974... |
Categories: Adrenergic Agents Adrenergic Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Amidines Antiadrenergic Agents, Centrally Acting Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Bradycardia-Causing Agents Cardiovascular Agents Central Alpha-agonists Central Nervous System Depressants Central alpha-2 Adrenergic Agonist Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Drugs that are Mainly Renally Excreted Guanidines Hypotensive Agents Imidazoline Receptor Agonists MATE 1 Inhibitors MATE inhibitors Neurotransmitter Agents OCT1 inhibitors OCT1 substrates OCT2 Substrates
Cross-references: BindingDB: 81984 ChEBI: 5558 CHEMBL862 ChemSpider: 3399 Drugs Product Database (DPD): 22124 Guide to Pharmacology: 522 IUPHAR: 522 C07037 D08031 PharmGKB: PA449825 PubChem:3519 PubChem:46506169 RxCUI: 40114 Therapeutic Targets Database: DAP000900 Wikipedia: Guanfacine ZINC: ZINC000003872738
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y2I1 | NISCH | Homo sapiens | Human | PF25625 PF23142 PF00787 | 7.7 | Ki | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.2 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |
DrugBank Target Actions (8)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P08913 | ADRA2A | Alpha-2A adrenergic receptor | agonist | targets |
| P18089 | ADRA2B | Alpha-2B adrenergic receptor | binder | targets |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| Q96FL8 | SLC47A1 | Multidrug and toxin extrusion protein 1 | inhibitor | transporters |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | substrate | transporters |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | substrate | transporters |