1JA

2-ethylpyridine-4-carboximidothioic acid

Created:2021-06-28
Last modified:  2022-07-13

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6
2D diagram of 1JA

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Chemical Component Summary

Name2-ethylpyridine-4-carboximidothioic acid
Systematic Name (OpenEye OEToolkits)2-ethylpyridine-4-carboximidothioic acid
FormulaC8 H10 N2 S
Molecular Weight166.243
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CCc1cc(ccn1)C(S)=N
SMILESOpenEye OEToolkits2.0.7CCc1cc(ccn1)C(=N)S
Canonical SMILESCACTVS3.385 CCc1cc(ccn1)C(S)=N
Canonical SMILESOpenEye OEToolkits2.0.7 CCc1cc(ccn1)C(=N)S
InChIInChI1.03 InChI=1S/C8H10N2S/c1-2-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChIKeyInChI1.03 AEOCXXJPGCBFJA-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB00609 
NameEthionamide
Groups approved
DescriptionA second-line antitubercular agent that inhibits mycolic acid synthesis. It also may be used for treatment of leprosy. (From Smith and Reynard, Textbook of Pharmacology, 1992, p868)
Synonyms
  • Etionamid
  • Ethionamidum
  • ETH
  • Ethyonomide
  • Ethinamide
Brand NamesTrecator
IndicationFor use in the treatment of pulmonary and extrapulmonary tuberculosis when other antitubercular drugs have failed.
Categories
  • Anti-Bacterial Agents
  • Anti-Infective Agents
  • Antiinfectives for Systemic Use
  • Antimycobacterials
  • Drugs causing inadvertant photosensitivity
ATC-CodeJ04AD03
CAS number536-33-4

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Enoyl-[acyl-carrier-protein] reductase [NADH]MTGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRI...unknowninhibitor
Nuclear factor erythroid 2-related factor 2MMDLELPPPGLPSQQDMDLIDILWRQDIDLGVSREVFDFSQRRKEYELEK...unknowninhibitor
Catalase-peroxidaseMPEQHPPITETTTGAASNGCPVVGHMKYPVEGGGNQDWWPNRLNLKVLHQ...unknownother/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 3287, 2761171
ChEMBL CHEMBL1441
ChEBI CHEBI:4885
CCDC/CSD ETCYPY01, ETCYPY, WUVSIR, EZEGUN, EZEGOH, HUTRAS, HUTRIA, WUVSEN, NAKBAF, WUVXUI, WUVSEN01, EZEHEY, ETATOL, NAJZUW, ESCAHB10