Molecule Details
| InChIKey | RUZYUOTYCVRMRZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Doxazosin |
| Canonical SMILES | COc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 9 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.26 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00590 |
|---|---|
| Drug Name | Doxazosin |
| CAS Number | 74191-85-8 |
| Groups | approved investigational |
| ATC Codes | C02CA04 G04CA55 |
| Description | Doxazosin is an alpha-1 antagonist used for the treatment of benign prostatic hypertrophy (BPH) symptoms and hypertension. Other members of this drug class include [Prazosin], [Terazosin], [Tamsulosin], and [Alfuzosin].[A180661] Because of its long-lasting effects, doxazosin can be administered once... |
Categories: Adrenergic Agents Adrenergic Antagonists Adrenergic alpha-1 Receptor Antagonists Adrenergic alpha-Antagonists Antiadrenergic Agents, Peripherally Acting Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Cardiovascular Agents Cytochrome P-450 CYP2C19 Substrates Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A4 Substrates (strength unknown) Cytochrome P-450 Substrates Drugs Used in Benign Prostatic Hypertrophy Genito Urinary System and Sex Hormones Heterocyclic Compounds, Fused-Ring Hypotensive Agents Neurotransmitter Agents OCT1 inhibitors P-glycoprotein inhibitors Peripheral alpha-1 blockers Quinazolines Urologicals
Cross-references: BindingDB: 86731 ChEBI: 4708 CHEMBL707 ChemSpider: 3045 Drugs Product Database (DPD): 11258 C06970 D07874 PharmGKB: PA449407 PubChem:3157 PubChem:46506825 RxCUI: 49276 Therapeutic Targets Database: DAP000381 Wikipedia: Doxazosin
Target Activities (9)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 9.1 | Ki | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 9.0 | Ki | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 8.6 | Ki | ChEMBL;BindingDB |
| Q01959 | SLC6A3 | Homo sapiens | Human | PF00209 | 6.8 | IC50 | ChEMBL |
| P18825 | ADRA2C | Homo sapiens | Human | PF00001 | 6.5 | Ki | ChEMBL;BindingDB |
| P41595 | HTR2B | Homo sapiens | Human | PF00001 | 6.5 | IC50 | ChEMBL |
| P28335 | HTR2C | Homo sapiens | Human | PF00001 | 6.4 | IC50 | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.2 | IC50 | ChEMBL;BindingDB |
| P08913 | ADRA2A | Homo sapiens | Human | PF00001 | 6.1 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | substrate | enzymes |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | substrate | enzymes |
| P33261 | CYP2C19 | Cytochrome P450 2C19 | substrate | enzymes |
| P25100 | ADRA1D | Alpha-1D adrenergic receptor | antagonist | targets |
| P35348 | ADRA1A | Alpha-1A adrenergic receptor | antagonist | targets |
| P35368 | ADRA1B | Alpha-1B adrenergic receptor | antagonist | targets |
| Q12809 | KCNH2 | HERG human cardiac K+ channel | inhibitor | targets |
| O15245 | SLC22A1 | Solute carrier family 22 member 1 | inhibitor | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | inhibitor | transporters |