Molecule Details
| InChIKey | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
|---|---|
| Compound Name | Phentolamine |
| Canonical SMILES | Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00692 |
|---|---|
| Drug Name | Phentolamine |
| CAS Number | 50-60-2 |
| Groups | approved investigational |
| ATC Codes | V03AB36 C04AB01 |
| Description | Phentolamine is a reversible, non-selective alpha-adrenergic blocker that induces vasodilation. While initially introduced to the market for the treatment of hypertension, this clinical use was halted due to cardiovascular and gastrointestinal adverse effects with the prolonged use of large oral dos... |
Categories: Adrenergic Agents Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Agents that produce hypertension Antidotes Antihypertensive Agents Cardiovascular Agents Drugs that are Mainly Renally Excreted Hypotensive Agents Imidazoles Imidazoline Derivatives Neurotransmitter Agents Non-selective Alfa-adrenergic Blocking Agents Peripheral Vasodilators Peripheral alpha-1 blockers Sympatholytic (Adrenergic Blocking) Agents Vasodilating Agents
Cross-references: BindingDB: 31046 ChEBI: 8081 CHEMBL597 ChemSpider: 5571 Drugs Product Database (DPD): 5974 Guide to Pharmacology: 502 IUPHAR: 502 PharmGKB: PA450926 PubChem:5775 PubChem:46506535 RxCUI: 8153 Therapeutic Targets Database: DAP000299 Wikipedia: Phentolamine ZINC: ZINC000000020251
Target Activities (10)
| 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 | 8.1 | Ki | ChEMBL;BindingDB |
| Q9Y2I1 | NISCH | Homo sapiens | Human | PF25625 PF23142 PF00787 | 7.9 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 7.9 | Kd | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 7.9 | Ki | ChEMBL;BindingDB |
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| Q99720 | SIGMAR1 | Homo sapiens | Human | PF04622 | 6.3 | IC50 | ChEMBL;BindingDB |