adenosine [584]



adenosine


SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey OIRDTQYFTABQOQ-KQYNXXCUSA-N

Chemical Properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Log P -1.980
Molecular weight (Da) 267.1
Stereochemistry info full

Database connections

Structure pdb 8HDP 8YH2 6D9H 9EEA 9EE8 9EBH 9EE9 7LD4 7LD3 2YDO
Model (RFAA) A3 A2B A2A A1
Model (Boltz2) A1 A2A A2B A3
Ligand site mutations A1 A2A A3
GPCRdb related ligands

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

adenosine


Drug properties

Molecular type Small molecule
Physiological/Surrogate Endogenous
Approved drug Yes

Distribution across phases (no. indications)

Phase I 4
Phase II 16
Phase III 25
Phase IV 12

Database connections

Structure pdb 8HDP 8YH2 6D9H 9EEA 9EE8 9EBH 9EE9 7LD4 7LD3 2YDO
Model (RFAA) A3 A2B A2A A1
Model (Boltz2) A1 A2A A2B A3
Ligand site mutations A1 A2A A3
GPCRdb related ligands

Sankey plot

Drug Information

Target Disease
Gene Protein Receptor family Ligand type Class Name Phase ICD11 ATC Association score