Detailed information for compound 1212172

Basic information

Technical information
  • TDR Targets ID: 1212172
  • Name: (2Z)-2-hydroxyimino-N,N-dimethyl-2-methylsulf anylacetamide
  • MW: 162.21 | Formula: C5H10N2O2S
  • H donors: 1 H acceptors: 2 LogP: 1.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CS/C(=N\O)/C(=O)N(C)C
  • InChi: 1S/C5H10N2O2S/c1-7(2)5(8)4(6-9)10-3/h9H,1-3H3/b6-4-
  • InChiKey: KIDWGGCIROEJJW-XQRVVYSFSA-N  

Network

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Synonyms

  • (2Z)-2-hydroxyimino-N,N-dimethyl-2-methylsulfanyl-acetamide
  • (2Z)-2-hydroxyimino-N,N-dimethyl-2-(methylthio)acetamide
  • (2Z)-2-hydroximino-N,N-dimethyl-2-(methylthio)acetamide
  • (2Z)-2-hydroxyimino-N,N-dimethyl-2-methylsulfanyl-ethanamide
  • Formohydroximic acid, (dimethylcarbamoyl)thio-, methyl ester
  • 2-(hydroxyimino)-N,N-dimethyl-2-(methylsulfanyl)acetamide
  • methyl (1Z)-2-(dimethylamino)-N-hydroxy-2-oxoethanimidothioate
  • NCGC00163756-01
  • 2-(dimethylamino)-N-hydroxy-2-oxo-ethanimidothioic acid methyl ester
  • Ethanimidothioic acid, 2-(dimethylamino)-N-hydroxy-2-oxo-, methyl ester
  • CHEBI:38542

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.918 0.918
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0002 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2244 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0002 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0015 0.0002 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0002 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2244 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0002 0.0002
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.918 1
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.1205 0.1205
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0002 0.0002
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1205 0.5371
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0002 0.0008
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0015 0.0002 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0015 0.0002 0.5
Schistosoma mansoni hypothetical protein 0.0152 0.918 0.918
Loa Loa (eye worm) hypothetical protein 0.0049 0.2244 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0002 0.0008
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0002 0.0008
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0002 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1205 0.5371
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0015 0.0002 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0002 0.0002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0002 0.0002
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0015 0.0002 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0002 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2244 1
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0224 uM PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of thyroid hormone receptor beta signaling. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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