DENUFOSOL TETRASODIUM

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII 82M942WZ4A

Structure

InChI Key PASYJVRFGUDDEW-WMUGRWSXSA-J
Smiles Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)O2)c(=O)n1.[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C18H27N5O21P4.4Na/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29;;;;/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29);;;;/q;4*+1/p-4/t8-,9+,10+,13+,14+,15+,16+;;;;/m0..../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N5Na4O21P4
Molecular Weight 861.25
AlogP -2.87
Hydrogen Bond Acceptor 21.0
Hydrogen Bond Donor 9.0
Number of Rotational Bond 14.0
Polar Surface Area 390.27
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 48.0

Pharmacology

Mechanism of Action Action Reference
Purinergic receptor P2Y2 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) Purine receptor
200-800 - - - -

Target Conservation

Protein: Purinergic receptor P2Y2
Description: P2Y purinoceptor 2
Organism : Homo sapiens
P41231 ENSG00000175591

Cross References

Resources Reference
ChEMBL CHEMBL1767407
FDA SRS 82M942WZ4A
PubChem 10219163
CONTENTS