Molecule Details
| InChIKey | METKIMKYRPQLGS-UHFFFAOYSA-N |
|---|---|
| Compound Name | Atenolol |
| Canonical SMILES | CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.64 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00335 |
|---|---|
| Drug Name | Atenolol |
| CAS Number | 29122-68-7 |
| Groups | approved investigational |
| ATC Codes | C07CB53 C07AB03 C07FB03 C07DB01 C07BB03 C07CB03 |
| Description | Atenolol is a cardioselective beta-blocker used in a variety of cardiovascular conditions. Sir James Black, a Scottish pharmacologist, pioneered the use of beta-blockers for the management of angina pectoris in 1958 for which he received the Nobel Prize.[A178429] Beta-blockers quickly became popular... |
Categories: Adrenergic Agents Adrenergic Antagonists Adrenergic beta-1 Receptor Antagonists Adrenergic beta-Antagonists Agents causing hyperkalemia Alcohols Amines Amino Alcohols Antiarrhythmic agents Antihypertensive Agents Antihypertensive Agents Indicated for Hypertension Autonomic Agents BSEP/ABCB11 Substrates Beta Blocking Agents and Thiazides Beta Blocking Agents, Selective Beta Blocking Agents, Selective, and Thiazides Beta blocking agents and calcium channel blockers Beta-Blockers (Beta1 Selective) Bradycardia-Causing Agents Cardiovascular Agents Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 Substrates Hypotensive Agents Peripheral Nervous System Agents QTc shortening agents Sympatholytics
Cross-references: BindingDB: 25753 ChEBI: 2904 CHEMBL24 ChemSpider: 2162 Drugs Product Database (DPD): 2041 Guide to Pharmacology: 548 IUPHAR: 548 D00235 PharmGKB: PA448499 PubChem:2249 PubChem:46506915 RxCUI: 1202 Therapeutic Targets Database: DAP000482 Wikipedia: Atenolol
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08588 | ADRB1 | Homo sapiens | Human | PF00001 | 6.7 | IC50 | ChEMBL;BindingDB |
| P25100 | ADRA1D | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| P35368 | ADRA1B | Homo sapiens | Human | PF00001 | 6.6 | IC50 | ChEMBL |
| P07550 | ADRB2 | Homo sapiens | Human | PF00001 | 6.6 | Kd | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | substrate | carriers |
| P10635 | CYP2D6 | Cytochrome P450 2D6 | substrate | enzymes |
| P07550 | ADRB2 | Beta-2 adrenergic receptor | antagonist | targets |
| P08588 | ADRB1 | Beta-1 adrenergic receptor | antagonist | targets |
| O95342 | ABCB11 | Bile salt export pump | substrate | transporters |