Molecule Details
| InChIKey | WDZVGELJXXEGPV-YIXHJXPBSA-N |
|---|---|
| Compound Name | Guanabenz |
| Canonical SMILES | N=C(N)N/N=C/c1c(Cl)cccc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00629 |
|---|---|
| Drug Name | Guanabenz |
| CAS Number | 5051-62-7 |
| Groups | approved withdrawn |
| ATC Codes | nan |
| Description | Guanabenz is an alpha-2 selective adrenergic agonist used as an antihypertensive agent. |
Categories: Adrenergic Agents Adrenergic Agonists Adrenergic alpha-2 Receptor Agonists Adrenergic alpha-Agonists Agents producing tachycardia Agents that produce hypertension Amidines Antihypertensive Agents Cardiovascular Agents Central alpha-2 Adrenergic Agonist Cytochrome P-450 CYP1A2 Substrates Cytochrome P-450 Substrates Guanidines Neurotransmitter Agents
Cross-references: BindingDB: 50225293 ChEBI: 5553 CHEMBL420 ChemSpider: 4642445 C07034 D04375 PharmGKB: PA164774903 PubChem:3517 PubChem:46505200 RxCUI: 5033 Therapeutic Targets Database: DAP000232 Wikipedia: Guanabenz ZINC: ZINC000000001522
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 7.6 | IC50 | ChEMBL |
| Q9Y2I1 | NISCH | Homo sapiens | Human | PF25625 PF23142 PF00787 | 7.5 | Ki | ChEMBL |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 7.1 | IC50 | ChEMBL |
| P18089 | ADRA2B | Homo sapiens | Human | PF00001 | 7.0 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.8 | IC50 | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.8 | Ki | ChEMBL |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |