Ligand Id: 2844
Ligand name adenosine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 139.54
Molecular weight 267.1
XLogP -1.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Summary Biological activity Clinical data References Structure Similar ligands Suppliers
Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1989))
DrugBank groups approved; investigational
IUPAC Name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Database Links
CAS Registry No. 58-61-7 (source: Scifinder)
ChEBI CHEBI:16335
ChEMBL Ligand CHEMBL477
DrugBank Ligand DB00640
Human Metabolome Database HMDB00050
PubChem CID 60961
RCSB PDB Ligand RAB, XYA, ADN
Search Google for chemical match using the InChIKey OIRDTQYFTABQOQ-KQYNXXCUSA-N
Search Google for chemicals with the same backbone OIRDTQYFTABQOQ
Wikipedia Adenosine
ZINC ZINC02169830

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