TECADENOSON

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Synonyms
Status
Molecule Category Free-form
UNII GZ1X96601Z
EPA CompTox DTXSID80174415

Structure

InChI Key OESBDSFYJMDRJY-BAYCTPFLSA-N
Smiles OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
InChI
InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N5O5
Molecular Weight 337.34
AlogP -1.36
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 134.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Adenosine A1 receptor agonist AGONIST PubMed PubMed 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
31.6-41 8.2 - 2.05-227 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - 3.1 -
Cavia porcellus
41 - - - -
Cricetulus griseus
- - - 3 -
Homo sapiens
- 8.2 - 2.05-227 -
Sus scrofa
31.6 - - 6.5-7.6 -

Target Conservation

Protein: Adenosine A1 receptor
Description: Adenosine receptor A1
Organism : Homo sapiens
P30542 ENSG00000163485

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL392149
DrugBank DB04954
FDA SRS GZ1X96601Z
Guide to Pharmacology 5592
PubChem 158795
SureChEMBL SCHEMBL246787
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