SONEDENOSON

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 2OT4KAG5JL
EPA CompTox DTXSID90157239

Structure

InChI Key WUCQGGOGHZRELS-LSCFUAHRSA-N
Smiles Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChI
InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20ClN5O5
Molecular Weight 421.84
AlogP 0.29
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 148.77
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

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
- - - 22-490 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 490-490 -

Target Conservation

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

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1950553
DrugBank DB12443
FDA SRS 2OT4KAG5JL
PubChem 9910098
SureChEMBL SCHEMBL1094594
ZINC ZINC000003966398
CONTENTS