Identification
- Generic Name
- Uridine-2',3'-vanadate
- DrugBank Accession Number
- DB03512
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Uridine-2',3'-vanadate (DB03512)
- Weight
- Average: 343.1411
Monoisotopic: 342.998243667 - Chemical Formula
- C9H12N2O9V
- Synonyms
- Not Available
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism URibonuclease pancreatic Not Available Humans - 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.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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazines
- Sub Class
- Pyrimidines and pyrimidine derivatives
- Direct Parent
- Pyrimidones
- Alternative Parents
- Hydropyrimidines / Monosaccharides / Vinylogous amides / Tetrahydrofurans / Heteroaromatic compounds / Ureas / Lactams / Azacyclic compounds / Oxacyclic compounds / Metalloheterocyclic compounds show 6 more
- Substituents
- Alcohol / Aromatic heteropolycyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / Metalloheterocycle / Monosaccharide / Organic metal salt show 14 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- JSPAHXDHRUTBDP-VKTKOMAXSA-L
- InChI
- InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16;;;;/h1-2,4,6-8,12H,3H2,(H,10,13,16);2*1H2;;/q-2;;;;+4/p-2/t4-,6+,7-,8+;;;;/m0..../s1
- IUPAC Name
- 1-[(3aS,4R,6S,6aR)-2,2-dihydroxy-6-(hydroxymethyl)-2-oxo-tetrahydrofuro[3,4-d]1,3-dioxa-2-vanadacyclopentan-4-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
- SMILES
- OC[C@@H]1O[C@H]([C@H]2O[V](O)(O)(=O)O[C@H]12)N1C=CC(=O)NC1=O
References
- General References
- Not Available
- External Links
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 13.7 mg/mL ALOGPS logP -2 ALOGPS logP -2.1 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 2.7 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 154.86 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 56.71 m3·mol-1 Chemaxon Polarizability 26.89 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.7448 Blood Brain Barrier + 0.8781 Caco-2 permeable - 0.7791 P-glycoprotein substrate Non-substrate 0.8237 P-glycoprotein inhibitor I Non-inhibitor 0.9407 P-glycoprotein inhibitor II Non-inhibitor 0.9132 Renal organic cation transporter Non-inhibitor 0.9471 CYP450 2C9 substrate Non-substrate 0.6958 CYP450 2D6 substrate Non-substrate 0.849 CYP450 3A4 substrate Non-substrate 0.5791 CYP450 1A2 substrate Non-inhibitor 0.8845 CYP450 2C9 inhibitor Non-inhibitor 0.8749 CYP450 2D6 inhibitor Non-inhibitor 0.9083 CYP450 2C19 inhibitor Non-inhibitor 0.89 CYP450 3A4 inhibitor Non-inhibitor 0.9463 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.956 Ames test Non AMES toxic 0.6521 Carcinogenicity Non-carcinogens 0.7971 Biodegradation Not ready biodegradable 0.6845 Rat acute toxicity 2.2445 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.956 hERG inhibition (predictor II) Non-inhibitor 0.8699
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ribonuclease a activity
- Specific Function
- Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.
- Gene Name
- RNASE1
- Uniprot ID
- P07998
- Uniprot Name
- Ribonuclease pancreatic
- Molecular Weight
- 17644.125 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52