Molecule Details
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
Compound NameAdenosine
Canonical SMILESNc1ncnc2c1ncn2[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 pChEMBL6.78
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00640
Drug NameAdenosine
CAS Number58-61-7
Groups approved investigational
ATC Codes C01EB10
DescriptionThe 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)
Target Gene Organism Category Pfam pChEMBL Type Source
P29274 ADORA2A Homo sapiens Human PF00001 7.3 Ki ChEMBL;BindingDB
P0DMS8 ADORA3 Homo sapiens Human PF00001 6.5 IC50 ChEMBL;BindingDB
P30542 ADORA1 Homo sapiens Human PF00001 6.5 IC50 ChEMBL;BindingDB
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