LIT

{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID

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Chemical Component Summary
Name	{[5-(5-NITRO-2-FURYL)-1,3,4-OXADIAZOL-2-YL]THIO}ACETIC ACID
Identifiers	2-[[5-(5-nitrofuran-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanoic acid
Formula	C₈ H₅ N₃ O₆ S
Molecular Weight	271.207
Type	NON-POLYMER
Isomeric SMILES	c1cc(oc1c2nnc(o2)SCC(=O)O)[N+](=O)[O-]
InChI	InChI=1S/C8H5N3O6S/c12-6(13)3-18-8-10-9-7(17-8)4-1-2-5(16-4)11(14)15/h1-2H,3H2,(H,12,13)
InChIKey	ITBNJCVIFHSKRL-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	11

Drug Info: DrugBank

DrugBank ID	DB08098
Name	{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid
Groups	experimental
Description	This compound belongs to the nitrofurans. These are compounds containing a furan ring which bears a nitro group. It targets the protein aldose reductase.
Synonyms	{[5-(5-nitro-2-furyl)-1,3,4-oxadiazol-2-yl]thio}acetic acid

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Aldose reductase	MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQ...	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