This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Summary

Diquafosol is a medication indicated to treat dry eyes associated with keratoconjunctival disorders.

Generic Name
Diquafosol
DrugBank Accession Number
DB15919
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 790.306
Monoisotopic: 789.993831105
Chemical Formula
C18H26N4O23P4
Synonyms
  • Diquafosol

Pharmacology

Indication

Not Available

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Associated Conditions
Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Diquafosol tetrasodiumX8T9SBH9LL211427-08-6OWTGMPPCCUSXIP-FNXFGIETSA-J

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
7828VC80FJ
CAS number
59985-21-6
InChI Key
NMLMACJWHPHKGR-NCOIDOBVSA-N
InChI
InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
IUPAC Name
[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid
SMILES
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O

References

General References
  1. FDA Thailand: DIQUAS (diquafosol) ophthalmic solution / drops [Link]
Human Metabolome Database
HMDB0006796
KEGG Compound
C06198
ChemSpider
130647
ChEBI
27791
ChEMBL
CHEMBL221326
ZINC
ZINC000008551963
Wikipedia
Diquafosol

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4RecruitingTreatmentAsthenopia / Computer vision syndrome / Dry Eye Syndrome (DES)1
3CompletedNot AvailableDry Eyes1
3CompletedTreatmentDry Eye Syndrome (DES)6
3CompletedTreatmentKeratoconjunctivitis Sicca (KCS)1
2CompletedNot AvailableDry Eyes1
2CompletedTreatmentDry Eye Syndrome (DES)2
2TerminatedTreatmentPhotorefractive Keratectomy1
1CompletedTreatmentDry Eye Syndrome (DES)1
1, 2RecruitingTreatmentDry Eye Syndrome (DES)1
Not AvailableCompletedDiagnosticDry Eye Syndrome (DES) / Tear1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Solution / dropsOphthalmic
Solution / dropsOphthalmic3 %
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility13.9 mg/mLALOGPS
logP0.36ALOGPS
logP-5.3ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)0.59ChemAxon
pKa (Strongest Basic)-3.8ChemAxon
Physiological Charge-4ChemAxon
Hydrogen Acceptor Count18ChemAxon
Hydrogen Donor Count10ChemAxon
Polar Surface Area393.55 Å2ChemAxon
Rotatable Bond Count14ChemAxon
Refractivity144.84 m3·mol-1ChemAxon
Polarizability59.64 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at November 23, 2020 15:38 / Updated at May 07, 2021 21:08