GBD

4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID

Created:2004-04-23
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count11
Chiral Atom Count0
Bond Count11
Aromatic Bond Count5
2D diagram of GBD
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Chemical Component Summary

Name4-HYDROXY-1,2,5-THIADIAZOLE-3-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)4-hydroxy-1,2,5-thiadiazole-3-carboxylic acid
FormulaC3 H2 N2 O3 S
Molecular Weight146.125
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1nsnc1O
SMILESCACTVS3.341OC(=O)c1nsnc1O
SMILESOpenEye OEToolkits1.5.0c1(c(nsn1)O)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)c1nsnc1O
Canonical SMILESOpenEye OEToolkits1.5.0 c1(c(nsn1)O)C(=O)O
InChIInChI1.03 InChI=1S/C3H2N2O3S/c6-2-1(3(7)8)4-9-5-2/h(H,5,6)(H,7,8)
InChIKeyInChI1.03 FVZITYNLUYJDOE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03162 
Name4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid
Groups experimental
Synonyms4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid
CAS number45654-48-6

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
L-lactate dehydrogenaseMAPKAKIVLVGSGMIGGVMATLIVQKNLGDVVLFDIVKNMPHGKALDTSH...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

Related Resource References

Resource NameReference
PubChem 448652
ChEMBL CHEMBL1232973