Detailed information for compound 631885

Basic information

Technical information
  • TDR Targets ID: 631885
  • Name: 4-(2-phenylethenylsulfonylamino)benzenesulfon amide
  • MW: 338.402 | Formula: C14H14N2O4S2
  • H donors: 2 H acceptors: 4 LogP: 1.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(Nc1ccc(cc1)S(=O)(=O)N)/C=C/c1ccccc1
  • InChi: 1S/C14H14N2O4S2/c15-22(19,20)14-8-6-13(7-9-14)16-21(17,18)11-10-12-4-2-1-3-5-12/h1-11,16H,(H2,15,19,20)/b11-10+
  • InChiKey: KTQFCPAZJBKJQK-ZHACJKMWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(2-phenylvinylsulfonylamino)benzenesulfonamide
  • SMR000103784
  • MLS000107820

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0742 0.0913
Leishmania major alpha glucosidase II subunit, putative 0.0041 0.0874 0.4049
Brugia malayi MH2 domain containing protein 0.0119 0.3829 0.4709
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0867 0.0391
Echinococcus multilocularis tar DNA binding protein 0.0123 0.3987 0.4518
Loa Loa (eye worm) hypothetical protein 0.0037 0.0742 0.0913
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.1556 0.1303
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0867 0.1066
Brugia malayi hypothetical protein 0.0028 0.041 0.0504
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.1556 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0123 0.3987 0.4903
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0867 0.0165
Brugia malayi Cytochrome P450 family protein 0.0027 0.0354 0.0435
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0867 0.9845
Brugia malayi intermediate filament protein 0.0033 0.0571 0.0702
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.6247 0.7508
Schistosoma mansoni hypothetical protein 0.0047 0.1134 0.1051
Brugia malayi hypothetical protein 0.0233 0.8131 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0874 0.0142
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2789 0.2934
Toxoplasma gondii exonuclease III APE 0.004 0.0867 0.3986
Onchocerca volvulus 0.0037 0.0742 0.062
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0874 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0742 0.0913
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.1556 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0742 0.0913
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2789 0.2934
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0867 0.9845
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0874 0.0142
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0874 0.0142
Brugia malayi beta-lactamase family protein 0.0037 0.0742 0.0913
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0742 0.7163
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3987 0.6369
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0138 0.4548 1
Brugia malayi RNA recognition motif domain containing protein 0.0123 0.3987 0.4903
Toxoplasma gondii ABC1 family protein 0.0037 0.0742 0.29
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0041 0.0874 0.0142
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0041 0.0874 0.4049
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0571 0.0702
Loa Loa (eye worm) TAR-binding protein 0.0123 0.3987 0.4903
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0867 0.0134
Brugia malayi beta-lactamase 0.0037 0.0742 0.0913
Brugia malayi Glycosyl hydrolases family 31 protein 0.0041 0.0874 0.1075
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0742 0.7163
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0867 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.829 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0874 0.0142
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0138 0.4548 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3987 0.6369
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0867 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0742 0.7163
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0742 0.032
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2789 0.2934
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0571 0.0702
Trypanosoma brucei glucosidase, putative 0.0041 0.0874 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0027 0.0354 0.0435
Loa Loa (eye worm) hypothetical protein 0.0037 0.0742 0.0913
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0041 0.0874 0.1075
Loa Loa (eye worm) RNA binding protein 0.0123 0.3987 0.4903
Trichomonas vaginalis maltase-glucoamylase, putative 0.0041 0.0874 0.0142
Trichomonas vaginalis sucrase-isomaltase, putative 0.0041 0.0874 0.0142
Giardia lamblia Fructose-bisphosphate aldolase 0.0282 1 1
Schistosoma mansoni alpha-glucosidase 0.0157 0.5285 0.8791
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2789 0.4136
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0874 0.0008
Brugia malayi RNA binding protein 0.0123 0.3987 0.4903
Onchocerca volvulus 0.0106 0.3336 1
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.8131 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0742 0.0227
Onchocerca volvulus 0.0037 0.0742 0.062
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0867 0.3986
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0183 0.6247 0.7683
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0742 0.0913
Echinococcus multilocularis geminin 0.0175 0.5934 0.7094
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Echinococcus granulosus geminin 0.0175 0.5934 0.7094
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0742 0.032
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2789 0.4136
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.1556 0.1303
Loa Loa (eye worm) hypothetical protein 0.0037 0.0742 0.0913
Schistosoma mansoni survival motor neuron protein 0.0047 0.1134 0.1051
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0874 0.0142
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.8131 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0742 0.7276
Echinococcus granulosus neutral alpha glucosidase AB 0.0041 0.0874 0.0401
Echinococcus multilocularis lysosomal alpha glucosidase 0.0183 0.6247 0.7508
Schistosoma mansoni hypothetical protein 0.0175 0.5934 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0548 0.0674
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0867 0.0327
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0874 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0041 0.0874 0.0142
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0867 0.0134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2789 0.2934
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0742 0.0227
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1556 0.1837
Schistosoma mansoni alpha glucosidase 0.0041 0.0874 0.0565
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0867 0.1066
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.2789 0.343
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0282 1 1
Onchocerca volvulus 0.0037 0.0742 0.062
Brugia malayi hypothetical protein 0.0018 0.0031 0.0038
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Schistosoma mansoni hypothetical protein 0.0175 0.5934 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.041 0.0504
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3987 0.6369
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.2789 0.343
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0571 0.0702
Schistosoma mansoni ap endonuclease 0.004 0.0867 0.0552
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1556 0.2138
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3987 0.6369
Brugia malayi beta-lactamase family protein 0.0037 0.0742 0.0913
Loa Loa (eye worm) hypothetical protein 0.0233 0.8131 1
Leishmania major hypothetical protein, conserved 0.0037 0.0742 0.29
Echinococcus multilocularis neutral alpha glucosidase AB 0.0041 0.0874 0.0401
Loa Loa (eye worm) hypothetical protein 0.0037 0.0742 0.0913
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.3829 0.4709
Echinococcus granulosus tar DNA binding protein 0.0123 0.3987 0.4518
Treponema pallidum fructose-bisphosphate aldolase 0.0282 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.1556 0.1078
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.1134 0.1395
Schistosoma mansoni alpha-glucosidase 0.0157 0.5285 0.8791
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Schistosoma mansoni tar DNA-binding protein 0.0123 0.3987 0.6369
Echinococcus granulosus lysosomal alpha glucosidase 0.0183 0.6247 0.7508
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.3829 0.4709
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0867 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2789 0.4136
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0183 0.6247 0.7683
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0282 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0867 0.0391
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.1556 0.1837
Schistosoma mansoni ap endonuclease 0.004 0.0867 0.0552
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0041 0.0874 0.0008
Loa Loa (eye worm) hypothetical protein 0.0037 0.0742 0.0913
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0138 0.4548 0.5042
Loa Loa (eye worm) hypothetical protein 0.0033 0.0571 0.0702
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1556 0.2138
Onchocerca volvulus 0.0047 0.1134 0.2038
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0867 0.9845
Brugia malayi TAR-binding protein 0.0123 0.3987 0.4903
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.1556 0.2138

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 0 % Suppression of LPS/IFN-gamma-stimulated NO production in mouse RAW264.7 cells at 10 uM ChEMBL. 18809325
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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