BINODENOSON

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Synonyms
Status
Molecule Category Free-form
UNII LJA4M1L5LG

Structure

InChI Key XJFMHMFFBSOEPR-DNZQAUTHSA-N
Smiles Nc1nc(N/N=C/C2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C17H25N7O4/c18-14-11-15(22-17(21-14)23-20-6-9-4-2-1-3-5-9)24(8-19-11)16-13(27)12(26)10(7-25)28-16/h6,8-10,12-13,16,25-27H,1-5,7H2,(H3,18,21,22,23)/b20-6+/t10-,12-,13-,16-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H25N7O4
Molecular Weight 391.43
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 163.93
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Adenosine A2a receptor agonist AGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
0.257 - - 25.5-903 17
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
0.257 - - - -
Homo sapiens
- - - 52.6-903 17
Rattus norvegicus
- - - 25.5-70.8 -

Target Conservation

Protein: Adenosine A2a receptor
Description: Adenosine receptor A2a
Organism : Homo sapiens
P29274 ENSG00000128271

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1950554
DrugBank DB04853
FDA SRS LJA4M1L5LG
Guide to Pharmacology 5595
PubChem 9576912
SureChEMBL SCHEMBL724955
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