Detailed information for compound 1165931

Basic information

Technical information
  • TDR Targets ID: 1165931
  • Name: 3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl] hydrazinylidene]pyrazole-1-carbothioamide
  • MW: 329.301 | Formula: C12H10F3N5OS
  • H donors: 2 H acceptors: 1 LogP: 2.93 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=S)N1N=C(/C(=N\Nc2ccccc2C(F)(F)F)/C1=O)C
  • InChi: 1S/C12H10F3N5OS/c1-6-9(10(21)20(19-6)11(16)22)18-17-8-5-3-2-4-7(8)12(13,14)15/h2-5,17H,1H3,(H2,16,22)/b18-9+
  • InChiKey: JFMSHBJRUARVTQ-GIJQJNRQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4E)-3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazinylidene]pyrazole-1-carbothioamide
  • 3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazono]pyrazole-1-carbothioamide
  • (4E)-3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazono]pyrazole-1-carbothioamide
  • 3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazono]-1-pyrazolecarbothioamide
  • (4E)-3-methyl-5-oxo-4-[[2-(trifluoromethyl)phenyl]hydrazono]-1-pyrazolecarbothioamide
  • (4E)-5-keto-3-methyl-4-[[2-(trifluoromethyl)phenyl]hydrazono]pyrazole-1-carbothioamide
  • 5-keto-3-methyl-4-[[2-(trifluoromethyl)phenyl]hydrazono]pyrazole-1-carbothioamide
  • 3-Methyl-5-oxo-4-{[2-(trifluoromethyl)phenyl]hydrazono}-4,5-dihydro-1H-pyrazole-1-carbothioamide
  • nchembio852-compR27

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax glutathione reductase, putative 0.0042 0.2288 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.4407 0.4407
Trypanosoma brucei trypanothione reductase 0.0042 0.2288 0.3039
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.4407 0.5853
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0096 0.6774 0.8837
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.465 0.4506
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.753 1
Brugia malayi RNA binding protein 0.007 0.465 0.6175
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0105 0.753 1
Schistosoma mansoni serine/threonine protein kinase 0.0105 0.753 0.753
Schistosoma mansoni tar DNA-binding protein 0.007 0.465 0.465
Mycobacterium tuberculosis Probable reductase 0.0096 0.6774 0.8837
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0096 0.6774 0.8837
Echinococcus granulosus thioredoxin glutathione reductase 0.0043 0.2335 0.3101
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0042 0.2288 0.2985
Brugia malayi TAR-binding protein 0.007 0.465 0.6175
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0106 0.7665 1
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.753 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0015 0 0.5
Brugia malayi Thioredoxin reductase 0.0042 0.2288 0.3039
Schistosoma mansoni tar DNA-binding protein 0.007 0.465 0.465
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0105 0.753 1
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.753 1
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.753 1
Leishmania major trypanothione reductase 0.0042 0.2288 0.3039
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0106 0.7665 1
Giardia lamblia Kinase, PLK 0.0105 0.753 1
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.3115 0.4137
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.4407 0.4407
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0105 0.753 1
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.4407 1
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.3115 0.4137
Mycobacterium tuberculosis Probable dehydrogenase 0.0096 0.6774 0.8837
Trypanosoma cruzi polo-like protein kinase, putative 0.0105 0.753 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0105 0.753 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0096 0.6774 0.8837
Brugia malayi serine/threonine-protein kinase plk-2 0.0105 0.753 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0105 0.753 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0105 0.753 1
Loa Loa (eye worm) TAR-binding protein 0.007 0.465 0.4506
Toxoplasma gondii thioredoxin reductase 0.0042 0.2288 0.5192
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.4407 0.5853
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.753 1
Plasmodium falciparum glutathione reductase 0.0042 0.2288 1
Schistosoma mansoni tar DNA-binding protein 0.007 0.465 0.465
Echinococcus granulosus tar DNA binding protein 0.007 0.465 0.6175
Trypanosoma brucei polo-like protein kinase 0.0105 0.753 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0106 0.7665 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0043 0.2335 0.3101
Schistosoma mansoni tar DNA-binding protein 0.007 0.465 0.465
Onchocerca volvulus Serine\/threonine kinase homolog 0.0105 0.753 0.5
Schistosoma mansoni kinase 0.0053 0.323 0.323
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.4407 0.575
Brugia malayi RNA recognition motif domain containing protein 0.007 0.465 0.6175
Echinococcus multilocularis tar DNA binding protein 0.007 0.465 0.6175
Loa Loa (eye worm) RNA binding protein 0.007 0.465 0.4506
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0106 0.7665 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.4407 1
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.753 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0015 0 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.4407 1
Plasmodium vivax thioredoxin reductase, putative 0.0042 0.2288 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0096 0.6774 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0042 0.2288 0.3039
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.4407 1
Treponema pallidum NADH oxidase 0.0015 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0042 0.2288 1
Brugia malayi glutathione reductase 0.0042 0.2288 0.3039
Schistosoma mansoni tar DNA-binding protein 0.007 0.465 0.465
Trichomonas vaginalis CAMK family protein kinase 0.0105 0.753 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.4407 0.5853

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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