DENUFOSOL TETRASODIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 82M942WZ4A

Structure
InChI Key PASYJVRFGUDDEW-WMUGRWSXSA-J
Smile 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

Action Mechanism of Action Reference
AGONIST Purinergic receptor P2Y2 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 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cystic Fibrosis 3 D003550 ClinicalTrials
Retinal Detachment 2 D012163 ClinicalTrials
Rhinitis, Allergic, Perennial 2 D012221 ClinicalTrials
Macular Edema 2 D008269 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1767407
FDA SRS 82M942WZ4A
PubChem 10219163
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