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
Structure for Diquafosol (DB15919)
- Weight
- Average: 790.306
Monoisotopic: 789.993831105 - Chemical Formula
- C18H26N4O23P4
- Synonyms
- Diquafosol
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Associated Conditions
Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Dry eye syndrome (des) •••••••••••• •••••••• • ••••• - Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Diquafosol tetrasodium X8T9SBH9LL 211427-08-6 OWTGMPPCCUSXIP-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
- FDA Thailand: DIQUAS (diquafosol) ophthalmic solution / drops [Link]
- External Links
- Human Metabolome Database
- HMDB0006796
- KEGG Compound
- C06198
- ChemSpider
- 130647
- ChEBI
- 27791
- ChEMBL
- CHEMBL221326
- ZINC
- ZINC000008551963
- Wikipedia
- Diquafosol
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Recruiting Treatment Asthenopia / Computer vision syndrome / Dry Eye Syndrome (DES) 1 3 Completed Not Available Dry Eyes 1 3 Completed Treatment Dry Eye Syndrome (DES) 6 3 Completed Treatment Keratoconjunctivitis Sicca (KCS) 1 2 Completed Not Available Dry Eyes 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Solution / drops Ophthalmic Solution / drops Ophthalmic 3 % - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 13.9 mg/mL ALOGPS logP 0.36 ALOGPS logP -5.3 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 0.59 Chemaxon pKa (Strongest Basic) -3.8 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 18 Chemaxon Hydrogen Donor Count 10 Chemaxon Polar Surface Area 393.55 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 144.84 m3·mol-1 Chemaxon Polarizability 59.64 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 284.6781535 predictedDarkChem Lite v0.1.0 [M-H]- 285.2149535 predictedDarkChem Lite v0.1.0 [M-H]- 196.80284 predictedDeepCCS 1.0 (2019) [M+H]+ 287.5351535 predictedDarkChem Lite v0.1.0 [M+H]+ 285.0233535 predictedDarkChem Lite v0.1.0 [M+H]+ 198.6967 predictedDeepCCS 1.0 (2019) [M+Na]+ 284.4982535 predictedDarkChem Lite v0.1.0 [M+Na]+ 284.7662535 predictedDarkChem Lite v0.1.0 [M+Na]+ 204.4763 predictedDeepCCS 1.0 (2019)
Drug created at November 23, 2020 15:38 / Updated at May 07, 2021 21:08