URA

URACIL

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count0
Bond Count12
Aromatic Bond Count0
2D diagram of URA
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Chemical Component Summary

NameURACIL
Systematic Name (OpenEye OEToolkits)1H-pyrimidine-2,4-dione
FormulaC4 H4 N2 O2
Molecular Weight112.087
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C=CNC(=O)N1
SMILESCACTVS3.341O=C1NC=CC(=O)N1
SMILESOpenEye OEToolkits1.5.0C1=CNC(=O)NC1=O
Canonical SMILESCACTVS3.341 O=C1NC=CC(=O)N1
Canonical SMILESOpenEye OEToolkits1.5.0 C1=CNC(=O)NC1=O
InChIInChI1.03 InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
InChIKeyInChI1.03 ISAKRJDGNUQOIC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03419 
NameUracil
Groups
  • experimental
  • investigational
SynonymsUracil
Categories
  • Fluorouracil and prodrugs
  • Pyrimidines
  • Pyrimidinones
CAS number66-22-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Dihydropyrimidine dehydrogenase [NADP(+)]MAPVLSKDSADIESILALNPRTQTHATLCSTSAKKLDKKHWKRNPDKNCF...unknown
Uridine-cytidine kinase-like 1MAAPPARADADPSPTSPPTARDTPGRQAEKSETACEDRSNAESLDRLLPP...unknown
Uracil-DNA glycosylaseMKRACSRSPSPRRRPSSPRRTPPRDGTPPQKADADDPTPGASNDASTETR...unknown
Uracil-DNA glycosylaseMANELTWHDVLAEEKQQPYFLNTLQTVASERQSGVTIYPPQKDVFNAFRF...unknown
Ribosomal small subunit pseudouridine synthase AMRLDKFIAQQLGVSRAIAGREIRGNRVTVDGEIVRNAAFKLLPEHDVAYD...unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 1174, 5274267
ChEMBL CHEMBL566
ChEBI CHEBI:17568
CCDC/CSD YAZRAS, VIFKUR, URACIL, INONAC