ADENOSINE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C01EB10
UNII K72T3FS567
EPA CompTox DTXSID1022558

Structure

InChI Key OIRDTQYFTABQOQ-KQYNXXCUSA-N
Smiles Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N5O4
Molecular Weight 267.25
AlogP -1.98
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 139.54
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Adenosine receptor agonist AGONIST FDA ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 15
Enzyme Transferase
- - - - 30
Epigenetic regulator Writer Protein methyltransferase
- - - - 26
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
39-730 1.148-2.344 - 5-700 3-13
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 96.48-180.3
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
0.12 - - - -
Cavia porcellus
51.29-51.29 - - - 85
Cercopithecidae
- - - - 86.79
Cricetulus griseus
- - - - 0-180.3
Homo sapiens
39-730 1.148-700 - 700 3-30
Human herpesvirus 1
- - - - 0-96.5
Mus musculus
- - - - 32.79-132.32
Oryctolagus cuniculus
- - - 930 64
Rattus norvegicus
- 150 - 5-100 -
Saccharomyces cerevisiae
- - - - 10.3

Related Entries

Cross References

Resources Reference
ChEBI 16335
ChEMBL CHEMBL477
DrugBank DB00640
DrugCentral 90
FDA SRS K72T3FS567
Human Metabolome Database HMDB0000050
Guide to Pharmacology 2844
KEGG C00212
PDB ADN
PharmGKB PA448049
PubChem 60961
SureChEMBL SCHEMBL731
ZINC ZINC000002169830
CONTENTS