This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Bisphosphocin Nu-3
- DrugBank Accession Number
- DB16015
- Background
Bisphosphocin Nu-3 is under investigation in clinical trial NCT02737722 (Topically Applied Bisphosphocin Nu-3 on Infected Diabetic Ulcers of Subjects With Type I or II Diabetes Mellitus).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Bisphosphocin Nu-3 (DB16015)
- Weight
- Average: 514.405
Monoisotopic: 514.148133854 - Chemical Formula
- C18H32N2O11P2
- Synonyms
- 3'-thymidylic acid, monobutyl ester, 5'-(butyl hydrogen phosphate)
- Bisphosphocin Nu-3
- Bisphosphocin Nu3
- Nu-3
Pharmacology
- Indication
Not Available
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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
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8BK3483OW5
- CAS number
- 403717-06-6
- InChI Key
- ZXQBUNYVGNOEBQ-ARFHVFGLSA-N
- InChI
- InChI=1S/C18H32N2O11P2/c1-4-6-8-27-32(23,24)29-12-15-14(31-33(25,26)28-9-7-5-2)10-16(30-15)20-11-13(3)17(21)19-18(20)22/h11,14-16H,4-10,12H2,1-3H3,(H,23,24)(H,25,26)(H,19,21,22)/t14-,15+,16+/m0/s1
- IUPAC Name
- butoxy({[(2R,3S,5R)-3-{[butoxy(hydroxy)phosphoryl]oxy}-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid
- SMILES
- CCCCOP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OCCCC)N1C=C(C)C(=O)NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 8454834
- ChEMBL
- CHEMBL4297360
- ZINC
- ZINC000038456904
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 7.21 mg/mL ALOGPS logP 0.29 ALOGPS logP 2.04 Chemaxon logS -1.8 ALOGPS pKa (Strongest Acidic) 1.6 Chemaxon pKa (Strongest Basic) -4.2 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 170.16 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 113.87 m3·mol-1 Chemaxon Polarizability 47.93 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 11, 2020 17:32 / Updated at December 11, 2020 21:54