Detailed information for compound 570145

Basic information

Technical information
  • TDR Targets ID: 570145
  • Name: cyanomethyl 4-chlorobenzenesulfonate
  • MW: 231.656 | Formula: C8H6ClNO3S
  • H donors: 0 H acceptors: 3 LogP: 1.62 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCOS(=O)(=O)c1ccc(cc1)Cl
  • InChi: 1S/C8H6ClNO3S/c9-7-1-3-8(4-2-7)14(11,12)13-6-5-10/h1-4H,6H2
  • InChiKey: HUBNRULYPBPVCR-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-chlorobenzenesulfonic acid cyanomethyl ester
  • 4-chlorobenzenesulfonylglycolic acid nitrile
  • 56000-13-6
  • p-Chlorobenzenesulfonylglycolic acid nitrile
  • Benzenesulfonic acid, 4-chloro-, cyanomethyl ester

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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0546 0.0364
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.1677 0.4062
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.025 0.1466
Echinococcus granulosus intermediate filament protein 0.0027 0.0144 0.051
Echinococcus granulosus lamin 0.0027 0.0144 0.051
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0577 0.7098 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0039 0.0299 0.0134
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0095 0.0558
Echinococcus multilocularis musashi 0.0027 0.0144 0.0144
Schistosoma mansoni RAR-like nuclear receptor 0.0023 0.0095 0.0558
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0044 0.0361 0.0312
Loa Loa (eye worm) jmjC domain-containing protein 0.0061 0.0574 0.2032
Leishmania major oxidoreductase-like protein 0.0039 0.0299 0.0134
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0361 0.0312
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0546 0.1933
Loa Loa (eye worm) oxidoreductase 0.0039 0.0299 0.1058
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0323 0.1144
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0039 0.0299 0.0175
Loa Loa (eye worm) hypothetical protein 0.0039 0.0299 0.1058
Trichomonas vaginalis hypothetical protein 0.0577 0.7098 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0546 0.3207
Leishmania major mitochondrial DNA polymerase beta 0.0313 0.376 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0095 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0023 0.0095 0.0336
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0118 0.1298 0.4593
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0039 0.0299 0.0134
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.0317 0.0201
Brugia malayi jmjC domain containing protein 0.0097 0.1025 0.3627
Onchocerca volvulus Alhambra homolog 0.0029 0.0178 0.0944
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0252 0.0891
Echinococcus multilocularis ecdysone induced protein 78C 0.0023 0.0095 0.0095
Schistosoma mansoni survival motor neuron protein 0.0049 0.0421 0.2474
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0546 0.3207
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0095 0.0336
Loa Loa (eye worm) retinol dehydrogenase 12 0.0039 0.0299 0.1058
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0039 0.0299 0.0175
Echinococcus granulosus lamin dm0 0.0027 0.0144 0.051
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0039 0.0299 0.0134
Brugia malayi nuclear hormone receptor 0.0023 0.0095 0.0336
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.0317 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0178 0.0628
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0144 0.051
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 0.0299 0.1058
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Schistosoma mansoni hypothetical protein 0.0035 0.025 0.1466
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0095 0.0095
Echinococcus granulosus ecdysone induced protein 78C 0.0023 0.0095 0.0336
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0039 0.0299 0.0134
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0421 0.149
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0095 0.0336
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0256 0.0906
Schistosoma mansoni hypothetical protein 0.0029 0.0178 0.1043
Loa Loa (eye worm) hypothetical protein 0.0239 0.2826 1
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0039 0.0299 0.0175
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0023 0.0095 0.0095
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0023 0.0095 0.0336
Echinococcus multilocularis lamin 0.0027 0.0144 0.0144
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0023 0.0095 0.0095
Loa Loa (eye worm) hypothetical protein 0.0027 0.0144 0.051
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0044 0.0361 0.0312
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0546 0.0839
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0317 1
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0039 0.0299 0.1755
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.2826 0.2826
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0023 0.0095 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0095 0.0336
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0577 0.7098 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.1818 0.6434
Loa Loa (eye worm) hypothetical protein 0.0051 0.0444 0.157
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0023 0.0095 0.0558
Echinococcus multilocularis lamin dm0 0.0027 0.0144 0.0144
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0039 0.0299 0.1058
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0546 0.0364
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0023 0.0095 0.0336
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0023 0.0095 0.0336
Schistosoma mansoni hypothetical protein 0.0049 0.0421 0.2474
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0577 0.7098 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0144 0.0846
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0178 0.0178
Brugia malayi steroid hormone receptor 0.0023 0.0095 0.0336
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0313 0.376 1
Trypanosoma brucei oxidoreductase-like protein 0.0039 0.0299 0.0134
Schistosoma mansoni dihydropteridine reductase 0.0039 0.0299 0.1755
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0252 0.0323
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.1818 0.6434
Plasmodium falciparum enoyl-acyl carrier reductase 0.0577 0.7098 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.0363 0.0163
Echinococcus multilocularis thyroid hormone receptor alpha 0.0023 0.0095 0.0095
Brugia malayi Steroid receptor seven-up type 2 0.0023 0.0095 0.0336
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0044 0.0361 0.0312
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0421 0.1491
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0097 0.1025 0.3627
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1818 0.1818
Brugia malayi acetyltransferase, GNAT family protein 0.015 0.1703 0.6026
Echinococcus granulosus FTZ F1 alpha 0.0023 0.0095 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0023 0.0095 0.0336
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0252 0.0323
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0546 0.0546
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0023 0.0095 0.0336
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0546 0.0364
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0144 0.051
Onchocerca volvulus 0.0027 0.0144 0.0562
Brugia malayi ecdysteroid receptor 0.0023 0.0095 0.0336
Brugia malayi hypothetical protein 0.0035 0.025 0.0883
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0023 0.0095 0.0336
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0256 0.0906
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.0363 0.0163
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0421 0.149
Onchocerca volvulus 0.0049 0.0421 0.3732
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0023 0.0095 0.0336
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0178 0.1043
Echinococcus multilocularis peregrin 0.0033 0.0224 0.0224
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0178 0.0628
Loa Loa (eye worm) acetyltransferase 0.015 0.1703 0.6026
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0023 0.0095 0.0558
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0023 0.0095 0.0095
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0039 0.0299 0.0134
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0039 0.0299 0.1058
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0095 0.0336
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.0363 0.1285
Schistosoma mansoni coup transcription factor 0.0023 0.0095 0.0558
Schistosoma mansoni alpha-glucosidase 0.0137 0.1538 0.903
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0256 0.1503
Brugia malayi jmjC domain containing protein 0.0036 0.0256 0.0906
Loa Loa (eye worm) hypothetical protein 0.0029 0.0178 0.0628
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0226 0.08
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0252 0.0107
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0546 0.0364
Leishmania major pteridine reductase 1 0.0039 0.0299 0.0134
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0106 0.1145 0.1145
Mycobacterium ulcerans hypothetical protein 0.0165 0.1888 0.2338
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0577 0.7098 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0252 0.0252
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0252 0.0891
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0023 0.0095 0.0336
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.1818 0.6434
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0097 0.1025 0.1025
Echinococcus multilocularis FTZ F1 alpha 0.0023 0.0095 0.0095
Schistosoma mansoni lamin 0.0027 0.0144 0.0846
Echinococcus granulosus peregrin 0.0033 0.0224 0.0793
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.1677 0.4062
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0039 0.0299 0.0175
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0252 0.0891
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0023 0.0095 0.0336
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0256 0.0256
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 0.0299 0.1058
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0039 0.0299 0.0134
Echinococcus granulosus histone acetyltransferase KAT2B 0.0146 0.165 0.5838
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0023 0.0095 0.0336
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0023 0.0095 0.0336
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0023 0.0095 0.0336
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0144 0.051
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0313 0.376 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.015 0.1703 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0023 0.0095 0.0336
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0323 0.0323
Trypanosoma brucei pteridine reductase 1 0.0039 0.0299 0.0134
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0023 0.0095 0.0336
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0023 0.0095 0.0336
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.015 0.1703 0.1703
Loa Loa (eye worm) hypothetical protein 0.0026 0.0138 0.0488
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.1818 0.1818
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0023 0.0095 0.0336
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0483 0.0659
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0546 0.0533
Loa Loa (eye worm) hypothetical protein 0.0023 0.0095 0.0336
Brugia malayi PHD-finger family protein 0.0029 0.0178 0.0628
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0023 0.0095 0.0336
Onchocerca volvulus 0.0039 0.0299 0.2333
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0023 0.0095 0.0336
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.0363 0.0268
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0577 0.7098 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0023 0.0095 0.0095
Brugia malayi intermediate filament protein 0.0027 0.0144 0.051
Brugia malayi hypothetical protein 0.0239 0.2826 1
Schistosoma mansoni nuclear hormone receptor 0.0023 0.0095 0.0558
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0023 0.0095 0.0095
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.2826 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0095 0.0558
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0023 0.0095 0.0558
Onchocerca volvulus 0.0092 0.097 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0023 0.0095 0.0558
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0577 0.7098 1
Brugia malayi Bromodomain containing protein 0.0033 0.0224 0.0793
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0023 0.0095 0.0336
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.0363 0.0268
Schistosoma mansoni steroid hormone receptor ad4bp 0.0023 0.0095 0.0558
Schistosoma mansoni lamin 0.0027 0.0144 0.0846
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.0363 0.0268
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0023 0.0095 0.0558
Toxoplasma gondii hypothetical protein 0.005 0.0443 0.0384
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0039 0.0299 0.0134
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0039 0.0299 0.0175
Brugia malayi photoreceptor-specific nuclear receptor 0.0023 0.0095 0.0336
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0039 0.0299 0.0299
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0023 0.0095 0.0336
Brugia malayi nuclear receptor NHR-88 0.0023 0.0095 0.0336
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0256 0.1503
Schistosoma mansoni jumonji domain containing protein 0.0077 0.0774 0.4546
Schistosoma mansoni alpha-glucosidase 0.0137 0.1538 0.903
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0313 0.376 1
Schistosoma mansoni thyroid hormone receptor 0.0023 0.0095 0.0558
Loa Loa (eye worm) steroid hormone receptor 0.0023 0.0095 0.0336
Schistosoma mansoni alpha glucosidase 0.0035 0.0252 0.1479
Mycobacterium tuberculosis Conserved hypothetical protein 0.0165 0.1888 0.2338
Schistosoma mansoni retinoic acid receptor RXR 0.0118 0.1298 0.7623
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0577 0.7098 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0033 0.0226 0.08
Onchocerca volvulus 0.0027 0.0144 0.0562
Schistosoma mansoni hypothetical protein 0.0033 0.0226 0.1328
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0148 0.1677 0.4062
Onchocerca volvulus 0.0039 0.0299 0.2333
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0039 0.0299 0.7348
Loa Loa (eye worm) hypothetical protein 0.0049 0.0421 0.149
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.025 0.0883
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0421 0.149

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.
 
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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