Identification
- Generic Name
- 5-Aminouracil
- DrugBank Accession Number
- DB03792
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for 5-Aminouracil (DB03792)
- Weight
- Average: 127.1014
Monoisotopic: 127.038176419 - Chemical Formula
- C4H5N3O2
- Synonyms
- 5-Amino-2,4-dihydroxypyrimidine
- 5-aminopyrimidine-2,4(1H,3H)-dione
- External IDs
- NSC-22474
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
- Aminopyrimidines and derivatives / Hydropyrimidines / Vinylogous amides / Heteroaromatic compounds / Ureas / Lactams / Azacyclic compounds / Primary amines / Organopnictogen compounds / Organooxygen compounds show 2 more
- Substituents
- Amine / Aminopyrimidine / Aromatic heteromonocyclic compound / Azacycle / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Lactam / Organic nitrogen compound / Organic oxide show 8 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- aminouracil (CHEBI:46348)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- R2O7EKY9G9
- CAS number
- 932-52-5
- InChI Key
- BISHACNKZIBDFM-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H5N3O2/c5-2-1-6-4(9)7-3(2)8/h1H,5H2,(H2,6,7,8,9)
- IUPAC Name
- 5-amino-1,2,3,4-tetrahydropyrimidine-2,4-dione
- SMILES
- NC1=CNC(=O)NC1=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 13611
- PubChem Substance
- 46507741
- ChemSpider
- 13022
- ChEMBL
- CHEMBL1236704
- ZINC
- ZINC000001236370
- PDBe Ligand
- WBU
- PDB Entries
- 1wbu / 4ws6 / 6l0f / 7e3u
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 11.3 mg/mL ALOGPS logP -1.6 ALOGPS logP -1.7 Chemaxon logS -1 ALOGPS pKa (Strongest Acidic) 8.57 Chemaxon pKa (Strongest Basic) -5.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 84.22 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 29.59 m3·mol-1 Chemaxon Polarizability 10.74 Å3 Chemaxon Number of Rings 1 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 + 0.7323 Blood Brain Barrier + 0.9155 Caco-2 permeable - 0.6379 P-glycoprotein substrate Non-substrate 0.7099 P-glycoprotein inhibitor I Non-inhibitor 0.9595 P-glycoprotein inhibitor II Non-inhibitor 1.0 Renal organic cation transporter Non-inhibitor 0.9463 CYP450 2C9 substrate Non-substrate 0.8085 CYP450 2D6 substrate Non-substrate 0.8282 CYP450 3A4 substrate Non-substrate 0.7851 CYP450 1A2 substrate Non-inhibitor 0.8218 CYP450 2C9 inhibitor Non-inhibitor 0.9673 CYP450 2D6 inhibitor Non-inhibitor 0.9772 CYP450 2C19 inhibitor Non-inhibitor 0.9544 CYP450 3A4 inhibitor Non-inhibitor 0.9624 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9933 Ames test Non AMES toxic 0.7736 Carcinogenicity Non-carcinogens 0.9462 Biodegradation Not ready biodegradable 0.8683 Rat acute toxicity 1.9430 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9518 hERG inhibition (predictor II) Non-inhibitor 0.9123
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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- 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