Molecule Details
| InChIKey | OIRDTQYFTABQOQ-KQYNXXCUSA-N |
|---|---|
| Compound Name | Adenosine |
| Canonical SMILES | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.78 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00640 |
|---|---|
| Drug Name | Adenosine |
| CAS Number | 58-61-7 |
| Groups | approved investigational |
| ATC Codes | C01EB10 |
| Description | The structure of adenosine was first described in 1931,[A229823] though the vasodilating effects were not described in literature until the 1940s.[A229828] Adenosine is indicated as an adjunct to thallium-201 in myocardial perfusion scintigraphy,[L31983] though it is rarely used in this indication, ... |
Categories: Adenosine, antagonists & inhibitors Agents producing tachycardia Alkenes Analgesics Antiarrhythmic agents Antiarrhythmics, Class V Biological Factors Carbohydrates Cardiac Therapy Cardiovascular Agents Central Nervous System Agents Cyclohexanes Cyclohexenes Cycloparaffins Glycosides Heterocyclic Compounds, Fused-Ring Hydrocarbons, Acyclic Miscellaneous Cardiac Drugs Miscellaneous Therapeutic Agents Moderate Risk QTc-Prolonging Agents Neurotransmitter Agents Nucleic Acids, Nucleotides, and Nucleosides Nucleosides Peripheral Nervous System Agents Polyenes Purine Nucleosides Purinergic Agents Purinergic Agonists Purinergic P1 Receptor Agonists Purines QTc Prolonging Agents Ribonucleosides Sensory System Agents Terpenes Vasodilating Agents
Cross-references: BindingDB: 14487 ChEBI: 16335 CHEMBL477 ChemSpider: 54923 Drugs Product Database (DPD): 4732 C00212 D00045 PDB: ADN PharmGKB: PA448049 PubChem:60961 PubChem:46508728 RxCUI: 296 Therapeutic Targets Database: DAP000223 Wikipedia: Adenosine ZINC: ZINC000002169830
Target Activities (3)
DrugBank Target Actions (20)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P02768 | ALB | Albumin | binder | carriers |
| P00491 | PNP | Purine nucleoside phosphorylase | substrate | enzymes |
| P00568 | P00568 | Adenylate kinase isoenzyme 1 | substrate | enzymes |
| P00813 | ADA | Adenosine deaminase | substrate | enzymes |
| P15531 | P15531 | Nucleoside diphosphate kinase A | substrate | enzymes |
| P22392 | NME2 | Nucleoside diphosphate kinase B | substrate | enzymes |
| P47989 | XDH | Xanthine dehydrogenase/oxidase | substrate | enzymes |
| P55263 | ADK | Adenosine kinase | substrate | enzymes |
| P0DMS8 | ADORA3 | Adenosine receptor A3 | agonist | targets |
| P29274 | ADORA2A | Adenosine receptor A2a | agonist | targets |
| P29275 | ADORA2B | Adenosine receptor A2b | agonist | targets |
| P30542 | ADORA1 | Adenosine receptor A1 | agonist | targets |
| Q9HAS3 | Q9HAS3 | Solute carrier family 28 member 3 | binder | transporters |
| O00337 | SLC28A1 | Sodium/nucleoside cotransporter 1 | substrate | transporters |
| O43868 | O43868 | Sodium/nucleoside cotransporter 2 | substrate | transporters |
| P17302 | P17302 | Gap junction alpha-1 protein | substrate | transporters |
| Q14542 | Q14542 | Equilibrative nucleoside transporter 2 | substrate | transporters |
| Q7RTT9 | Q7RTT9 | Equilibrative nucleoside transporter 4 | substrate | transporters |
| Q99808 | SLC29A1 | Equilibrative nucleoside transporter 1 | substrate | transporters |
| Q9BZD2 | Q9BZD2 | Equilibrative nucleoside transporter 3 | substrate | transporters |