Detailed information for compound 410436

Basic information

Technical information
  • TDR Targets ID: 410436
  • Name: 4-methylbenzenesulfonohydrazide
  • MW: 186.231 | Formula: C7H10N2O2S
  • H donors: 2 H acceptors: 2 LogP: 0.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3
  • InChiKey: ICGLPKIVTVWCFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-toluenesulfonyl hydrazide
  • 1576-35-8
  • 344295-58-5
  • ZINC00154720
  • AC-907/25014186
  • 132004_ALDRICH
  • ST5411958
  • EINECS 216-407-3
  • NSC 18715
  • P-TOLUENESULFONYLHYDRAZIDE
  • Toluene-4-sulphonohydrazide
  • p-Toluenesulfonic acid, hydrazide (8CI)
  • 4-11-00-00470 (Beilstein Handbook Reference)
  • 4-Methylbenzenesulfonic acid, hydrazide
  • AI3-32890
  • BRN 0610130
  • CCRIS 6484
  • (p-Tolylsulfonyl)hydrazine
  • 4-Methylbenzenesulfonic acid hydrazide
  • 4-Toluenesulfonic acid hydrazide
  • Benzenesulfonic acid, 4-methyl-, hydrazide
  • Celogen TSH
  • Hydrazine, p-tolylsulfonyl-
  • N-Toluolsulphonyl hydrazine
  • NSC18715
  • PTSH
  • Toluene-4-sulfonyl hydrazide
  • Toluenesulfonic acid hydrazide
  • Tosylhydrazide
  • Tosylhydrazine
  • p-Methylbenzenesulfonic acid hydrazide
  • p-Methylbenzenesulfonylhydrazine
  • p-Methylphenylsulfonylhydrazine
  • p-Toluenesulfonhydrazide
  • p-Toluenesulfonic acid hydrazide
  • p-Toluenesulfonic acid, hydrazide
  • p-Toluenesulfonic hydrazide
  • p-Toluenesulfonyl hydrazide
  • p-Toluenesulfonylhydrazine
  • p-Tolylsulfonyl hydrazide
  • p-Tolylsulfonylhydrazine
  • p-Tosylhydrazine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli cystathionine beta-lyase, PLP-dependent Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum cysteine desulfhydrase, putative Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania donovani cystathionine beta-lyase, putative Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania mexicana cystathionine beta-lyase, putative Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania major cysteine desulfhydrase Get druggable targets OG5_136808 All targets in OG5_136808
Leishmania braziliensis cystathionine beta-lyase, putative Get druggable targets OG5_136808 All targets in OG5_136808
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.1236 0.4485
Echinococcus multilocularis peregrin 0.003 0.0051 0.0184
Brugia malayi MH2 domain containing protein 0.0259 0.4147 0.4117
Entamoeba histolytica branched-chain amino acid aminotransferase, putative 0.0286 0.4637 1
Brugia malayi jmjC domain containing protein 0.0037 0.0165 0.0115
Loa Loa (eye worm) hypothetical protein 0.0078 0.0907 0.0907
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0051 0.0184
Echinococcus multilocularis musashi 0.0057 0.0527 0.1912
Schistosoma mansoni lamin 0.0057 0.0527 0.0479
Loa Loa (eye worm) hypothetical protein 0.0052 0.0438 0.0438
Echinococcus multilocularis lamin 0.0057 0.0527 0.1912
Trichomonas vaginalis esterase, putative 0.0078 0.0907 0.07
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0078 0.0907 0.0861
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0165 0.0115
Mycobacterium ulcerans branched-chain amino acid aminotransferase 0.0286 0.4637 0.4102
Loa Loa (eye worm) hypothetical protein 0.0036 0.0162 0.0162
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0286 0.4637 1
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0263 0.0955
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.1236 0.4485
Schistosoma mansoni jumonji domain containing protein 0.0079 0.092 0.0874
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0907 0.07
Mycobacterium leprae PROBABLE BRANCHED-CHAIN AMINO ACID TRANSAMINASE ILVE 0.0286 0.4637 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.0509 0.0509
Schistosoma mansoni alpha-glucosidase 0.0155 0.2281 0.2242
Onchocerca volvulus 0.0078 0.0907 0.6485
Brugia malayi Branched-chain amino acid aminotransferase, cytosolic, putative 0.0286 0.4637 0.4609
Loa Loa (eye worm) MH2 domain-containing protein 0.0259 0.4147 0.4147
Schistosoma mansoni lamin 0.0057 0.0527 0.0479
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0223 0.0173
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0162 0.0111
Trypanosoma cruzi Aminotransferase class IV, putative 0.0082 0.098 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0165 0.0165
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0051 0.0184
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0464 0.0464
Leishmania major hypothetical protein, conserved 0.0082 0.098 0.1313
Schistosoma mansoni hypothetical protein 0.0181 0.2757 0.272
Echinococcus granulosus geminin 0.0181 0.2757 1
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0263 0.0955
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0096 0.1236 0.4485
Loa Loa (eye worm) hypothetical protein 0.0057 0.0527 0.0527
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0907 0.0861
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1236 0.1192
Toxoplasma gondii ABC1 family protein 0.0078 0.0907 0.1867
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0286 0.4637 1
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0907 0.9034
Trypanosoma brucei branched-chain amino acid aminotransferase, putative 0.0286 0.4637 1
Brugia malayi jmjC domain containing protein 0.0099 0.1285 0.1241
Loa Loa (eye worm) intermediate filament protein 0.0057 0.0527 0.0527
Trypanosoma brucei Aminotransferase class IV, putative 0.0082 0.098 0.1716
Brugia malayi beta-lactamase family protein 0.0078 0.0907 0.0861
Onchocerca volvulus 0.0057 0.0527 0.3607
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0223 0.0223
Plasmodium vivax aminodeoxychorismate lyase, putative 0.0082 0.098 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0499 0.8446 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1236 0.1192
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0057 0.0527 0.0527
Trichomonas vaginalis glutaminase, putative 0.0586 1 1
Toxoplasma gondii hypothetical protein 0.0082 0.098 0.2027
Loa Loa (eye worm) glutaminase 2 0.0586 1 1
Leishmania major hypothetical protein, conserved 0.0078 0.0907 0.1186
Loa Loa (eye worm) transcription factor SMAD2 0.0259 0.4147 0.4147
Loa Loa (eye worm) hypothetical protein 0.003 0.0051 0.0051
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0223 0.0809
Loa Loa (eye worm) hypothetical protein 0.0078 0.0907 0.0907
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0165 0.0598
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0223 0.0809
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0907 0.07
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0054 0.0003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0464 0.0415
Echinococcus multilocularis lysosomal alpha glucosidase 0.018 0.273 0.99
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0054 0.0054
Schistosoma mansoni hypothetical protein 0.0036 0.0162 0.0111
Trypanosoma brucei hypothetical protein, conserved 0.0078 0.0907 0.155
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0078 0.0907 0.0907
Echinococcus granulosus beta LACTamase domain containing family member 0.0078 0.0907 0.3291
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0078 0.0907 0.0861
Schistosoma mansoni hypothetical protein 0.0181 0.2757 0.272
Giardia lamblia Branched-chain amino acid aminotransferase lateral transfer candidate 0.0286 0.4637 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0907 0.07
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0096 0.1236 0.1236
Echinococcus multilocularis lamin dm0 0.0057 0.0527 0.1912
Brugia malayi intermediate filament protein 0.0057 0.0527 0.0479
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0096 0.1236 0.1192
Schistosoma mansoni alpha glucosidase 0.004 0.0223 0.0173
Mycobacterium tuberculosis Probable amino acid aminotransferase 0.0082 0.098 0.0097
Mycobacterium ulcerans glutaminase 0.0586 1 1
Mycobacterium tuberculosis Branched-chain amino acid transaminase IlvE 0.0286 0.4637 0.4947
Trichomonas vaginalis subgroup IIIi aminotransferase, putative 0.0286 0.4637 0.4514
Trypanosoma cruzi hypothetical protein, conserved 0.0078 0.0907 0.9034
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.018 0.273 0.273
Schistosoma mansoni intermediate filament proteins 0.0057 0.0527 0.0479
Echinococcus multilocularis geminin 0.0181 0.2757 1
Loa Loa (eye worm) glutaminase 0.0586 1 1
Onchocerca volvulus 0.0104 0.1371 1
Echinococcus granulosus lamin dm0 0.0057 0.0527 0.1912
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.1285 0.4661
Schistosoma mansoni alpha-glucosidase 0.0155 0.2281 0.2242
Brugia malayi beta-lactamase 0.0078 0.0907 0.0861
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.1285 0.4661
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0464 0.0415
Echinococcus granulosus lamin 0.0057 0.0527 0.1912
Plasmodium falciparum aminodeoxychorismate lyase 0.0082 0.098 1
Plasmodium vivax hypothetical protein, conserved 0.0078 0.0907 0.9213
Echinococcus multilocularis lysosomal alpha glucosidase 0.018 0.273 0.99
Onchocerca volvulus 0.0078 0.0907 0.6485
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0165 0.0115
Loa Loa (eye worm) hypothetical protein 0.0078 0.0907 0.0907
Echinococcus granulosus intermediate filament protein 0.0057 0.0527 0.1912
Leishmania major branched-chain amino acid aminotransferase, putative 0.0286 0.4637 0.7652
Loa Loa (eye worm) hypothetical protein 0.0078 0.0907 0.0907
Loa Loa (eye worm) hypothetical protein 0.0078 0.0907 0.0907
Loa Loa (eye worm) beta-lactamase 0.0078 0.0907 0.0907
Trichomonas vaginalis penicillin-binding protein, putative 0.0078 0.0907 0.07
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0165 0.0598
Loa Loa (eye worm) hypothetical protein 0.0078 0.0907 0.0907
Schistosoma mansoni glutaminase 0.0586 1 1
Toxoplasma gondii Branched-chain-amino-acid aminotransferase 0.0286 0.4637 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0096 0.1236 0.1192
Brugia malayi beta-lactamase family protein 0.0078 0.0907 0.0861
Trichomonas vaginalis branched-chain amino acid aminotransferase, putative 0.0286 0.4637 0.4514
Echinococcus granulosus lysosomal alpha glucosidase 0.018 0.273 0.99
Trichomonas vaginalis D-aminoacylase, putative 0.0078 0.0907 0.07
Onchocerca volvulus 0.0057 0.0527 0.3607
Loa Loa (eye worm) hypothetical protein 0.0053 0.0464 0.0464
Onchocerca volvulus 0.0078 0.0907 0.6485
Brugia malayi Intermediate filament tail domain containing protein 0.0057 0.0527 0.0479
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0223 0.0376
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0051 0.0051
Giardia lamblia Hypothetical protein 0.0082 0.098 0.2027
Leishmania major cysteine desulfhydrase 0.0362 0.5991 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.018 0.273 0.2692
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0096 0.1236 0.4485
Echinococcus granulosus peregrin 0.003 0.0051 0.0184
Mycobacterium ulcerans 4-amino-4-deoxychorismate lyase 0.0082 0.098 0.008
Loa Loa (eye worm) branched-chain amino acid aminotransferase 0.0286 0.4637 0.4637
Echinococcus multilocularis beta LACTamase domain containing family member 0.0078 0.0907 0.3291
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0628 0.0628

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.2 uM Inhibition of Escherichia coli CBL ChEMBL. 17300162
IC50 (binding) = 2.2 uM Inhibition of Escherichia coli CBL ChEMBL. 17300162
MIC (functional) = 32 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in absence of methionine ChEMBL. 17300162
MIC (functional) = 32 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in absence of methionine ChEMBL. 17300162
MIC (functional) = 64 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in presence of methionine ChEMBL. 17300162
MIC (functional) = 64 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 in presence of methionine ChEMBL. 17300162
MIC (functional) = 128 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 ChEMBL. 17300162
MIC (functional) = 128 ug ml-1 Antifungal activity against Candida albicans ATCC 90028 ChEMBL. 17300162

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.