Molecule Details
| InChIKey | XYLJNLCSTIOKRM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Brimonidine |
| Canonical SMILES | Brc1c(NC2=NCCN2)ccc2nccnc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.49 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00484 |
|---|---|
| Drug Name | Brimonidine |
| CAS Number | 59803-98-4 |
| Groups | approved investigational |
| ATC Codes | D11AX21 S01EA55 S01GA07 S01EA05 |
| Description | Brimonidine is an alpha-adrenergic agonist and 2-imidazoline derivative that was first introduced in 1996.[A178951] It is considered to be a third generation alpha-2 aadrenergic receptor agonist, since it displays preferential binding at alpha-2 adrenoceptors over alpha-1 receptors.[A179002] Brimoni... |
Categories: Adrenergic Agents Adrenergic Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Antiglaucoma Preparations and Miotics Cardiovascular Agents Central Nervous System Depressants Decongestants and Antiallergics Dermatologicals Heterocyclic Compounds, Fused-Ring Hypotensive Agents Misc. Skin and Mucous Membrane Agents Ophthalmologicals Quinoxalines Sensory Organs Sympathomimetics Used as Decongestants Sympathomimetics in Glaucoma Therapy
Cross-references: BindingDB: 34572 ChEBI: 3175 CHEMBL844 ChemSpider: 2341 Drugs Product Database (DPD): 11710 Guide to Pharmacology: 520 IUPHAR: 520 C07886 D07540 PDB: J59 PharmGKB: PA448665 PubChem:2435 PubChem:46507305 RxCUI: 134615 Therapeutic Targets Database: DAP000280 Wikipedia: Brimonidine ZINC: ZINC000021303210
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 8.0 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.4 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.0 | Ki | ChEMBL |