VK-0214
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- VK-0214
- DrugBank Accession Number
- DB17670
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 412.422
Monoisotopic: 412.143960903 - Chemical Formula
- C23H25O5P
- Synonyms
- (((4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenyl)oxy)methyl)phosphonic acid
- ((4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy)methyl)phosphonic acid
- Phosphonic acid, p-((4-((4-hydroxy-3-(phenylmethyl)phenyl)methyl)-3,5-dimethylphenoxy)methyl)-
- VK-0214
- VK0214
- External IDs
- VK-0214
- VK0214
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.- 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
- 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
- 6FGG71NJ3Y
- CAS number
- 852949-30-5
- InChI Key
- GFJCILQBXUTOGN-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H25O5P/c1-16-10-21(28-15-29(25,26)27)11-17(2)22(16)14-19-8-9-23(24)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,24H,12,14-15H2,1-2H3,(H2,25,26,27)
- IUPAC Name
- ({4-[(3-benzyl-4-hydroxyphenyl)methyl]-3,5-dimethylphenoxy}methyl)phosphonic acid
- SMILES
- CC1=CC(OCP(O)(O)=O)=CC(C)=C1CC1=CC=C(O)C(CC2=CC=CC=C2)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 13084942
- ChEMBL
- CHEMBL4802139
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Recruiting Other Adrenomyeloneuropathy Form (AMN) of X-linked Adrenoleukodystrophy (X-ALD) 1
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 logP 5.55 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 86.99 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 114.64 m3·mol-1 Chemaxon Polarizability 42.8 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at April 20, 2023 16:00 / Updated at April 23, 2023 14:17