Y3G

5-ethynylpyrimidine-2,4(1H,3H)-dione

Created:	2021-02-01
Last modified:	2024-09-27

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3 entries where Y3G is found as a standalone ligand1 entries where Y3G is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	14
Chiral Atom Count	0
Bond Count	14
Aromatic Bond Count	0

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Chemical Component Summary
Name	5-ethynylpyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)	5-ethynyl-1~{H}-pyrimidine-2,4-dione
Formula	C₆ H₄ N₂ O₂
Molecular Weight	136.108
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C#CC=1C(NC(NC=1)=O)=O
SMILES	CACTVS	3.385	O=C1NC=C(C#C)C(=O)N1
SMILES	OpenEye OEToolkits	2.0.7	C#CC1=CNC(=O)NC1=O
Canonical SMILES	CACTVS	3.385	O=C1NC=C(C#C)C(=O)N1
Canonical SMILES	OpenEye OEToolkits	2.0.7	C#CC1=CNC(=O)NC1=O
InChI	InChI	1.03	InChI=1S/C6H4N2O2/c1-2-4-3-7-6(10)8-5(4)9/h1,3H,(H2,7,8,9,10)
InChIKey	InChI	1.03	JOZGNYDSEBIJDH-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03516
Name	Eniluracil
Groups	investigational
Description	Eniluracil, which was previously under development by GlaxoSmithKline (GSK), is being developed by Adherex to enhance the therapeutic value and effectiveness of 5-fluorouracil (5-FU), one of the world’s most widely-used oncology agents. 5-FU is widely used in the U.S. and is often first or second line therapy for a variety of cancers including colorectal, breast, gastric, head and neck, ovarian and basal cell cancer of the skin. Eniluracil could improve 5-FU by increasing its effectiveness, reducing its side effects and/or making it orally available. Eniluracil has received Orphan Drug status from the FDA for the treatment of hepatocellular cancer in combination with fluoropyrimidines (including 5-FU).
Synonyms	Eniluracil 5-Ethynyluracil
Indication	For the treatment of cancer in combination with 5-fluorouracil.
Categories	Enzyme Inhibitors Pyrimidines Pyrimidinones
CAS number	59989-18-3

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aldehyde oxidase	MDRASELLFYVNGRKVIEKNVDPETMLLPYLRKKLRLTGTKYGCGGGGCG...	unknown
Xanthine dehydrogenase/oxidase	MTADKLVFFVNGRKVVEKNADPETTLLAYLRRKLGLSGTKLGCGEGGCGA...	unknown	inhibitor
Dihydropyrimidine dehydrogenase [NADP(+)]	MAPVLSKDSADIESILALNPRTQTHATLCSTSAKKLDKKHWKRNPDKNCF...	unknown

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