Detailed information for compound 1367893

Basic information

Technical information
  • TDR Targets ID: 1367893
  • Name: (E)-N-[(2-chlorophenyl)methyl]-2-phenylethene sulfonamide
  • MW: 307.795 | Formula: C15H14ClNO2S
  • H donors: 1 H acceptors: 2 LogP: 3.44 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1CNS(=O)(=O)/C=C/c1ccccc1
  • InChi: 1S/C15H14ClNO2S/c16-15-9-5-4-8-14(15)12-17-20(18,19)11-10-13-6-2-1-3-7-13/h1-11,17H,12H2/b11-10+
  • InChiKey: IHMHSVFINKJHSI-ZHACJKMWSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-chlorophenyl)methyl]-2-phenylethenesulfonamide
  • (E)-N-[(2-chlorophenyl)methyl]-2-phenyl-ethenesulfonamide
  • N-[(2-chlorophenyl)methyl]-2-phenyl-ethenesulfonamide
  • N-(2-chlorobenzyl)-2-phenyl-ethenesulfonamide
  • (E)-N-(2-chlorobenzyl)-2-phenyl-ethenesulfonamide
  • ZINC06566280
  • MLS000394786
  • SMR000242929

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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 granulosus lysosomal alpha glucosidase 0.0325 1 1
Onchocerca volvulus 0.0049 0.0732 0.1354
Schistosoma mansoni alpha glucosidase 0.0072 0.1518 0.1707
Trichomonas vaginalis glycoside hydrolase, putative 0.0243 0.7269 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0325 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0602 0.0602
Leishmania major alpha glucosidase II subunit, putative 0.0072 0.1518 1
Trichomonas vaginalis conserved hypothetical protein 0.0243 0.7269 1
Brugia malayi Glycosyl hydrolases family 2, sugar binding domain containing protein 0.0232 0.689 0.689
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1666 0.1595
Brugia malayi Beta-glucuronidase precursor 0.0226 0.6669 0.6669
Schistosoma mansoni alpha-glucosidase 0.028 0.8482 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0072 0.1518 0.1446
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1666 0.1884
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0732 0.0732
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1666 0.1884
Brugia malayi RNA binding protein 0.0076 0.1666 0.1666
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0072 0.1518 0.3286
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0602 0.0522
Trichomonas vaginalis maltase-glucoamylase, putative 0.0072 0.1518 0.2088
Brugia malayi intermediate filament protein 0.0029 0.0084 0.0084
Echinococcus multilocularis lysosomal alpha glucosidase 0.0325 1 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1666 0.1666
Schistosoma mansoni hypothetical protein 0.0086 0.197 0.2245
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1666 0.1884
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0602 0.0616
Loa Loa (eye worm) hypothetical protein 0.0147 0.402 0.402
Trichomonas vaginalis sucrase-isomaltase, putative 0.0072 0.1518 0.2088
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0084 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1666 0.1884
Loa Loa (eye worm) hypothetical protein 0.0239 0.7104 0.7104
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0084 0.0084
Onchocerca volvulus 0.0188 0.5404 1
Trichomonas vaginalis beta-mannosidase, putative 0.0079 0.1749 0.2406
Trichomonas vaginalis beta-galactosidase, putative 0.0243 0.7269 1
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1518 1
Loa Loa (eye worm) beta-glucuronidase 0.0226 0.6669 0.6669
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1518 1
Brugia malayi TAR-binding protein 0.0076 0.1666 0.1666
Onchocerca volvulus 0.0029 0.0084 0.0156
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0602 0.0602
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0072 0.1518 0.5
Trichomonas vaginalis alpha-glucosidase, putative 0.0072 0.1518 0.2088
Schistosoma mansoni alpha-glucosidase 0.028 0.8482 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0602 0.0616
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.7104 0.7079
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0072 0.1518 0.3286
Trypanosoma brucei glucosidase, putative 0.0072 0.1518 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0072 0.1518 0.2088
Schistosoma mansoni survival motor neuron protein 0.0049 0.0732 0.0771
Schistosoma mansoni hypothetical protein 0.0049 0.0732 0.0771
Trichomonas vaginalis alpha-glucosidase, putative 0.0072 0.1518 0.2088
Entamoeba histolytica beta-galactosidase, putative 0.0165 0.4619 1
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.7104 0.7079
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0602 0.0522
Brugia malayi MH2 domain containing protein 0.012 0.314 0.314
Trichomonas vaginalis alpha-glucosidase, putative 0.0072 0.1518 0.2088
Echinococcus multilocularis lysosomal alpha glucosidase 0.0325 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1666 0.1666
Echinococcus granulosus neutral alpha glucosidase AB 0.0072 0.1518 0.1446
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0084 0.0084
Trichomonas vaginalis alpha-glucosidase, putative 0.0072 0.1518 0.2088
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.314 0.314
Schistosoma mansoni beta-mannosidase 0.0079 0.1749 0.1982
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.314 0.314
Loa Loa (eye worm) RNA binding protein 0.0076 0.1666 0.1666
Brugia malayi Glycosyl hydrolases family 31 protein 0.0072 0.1518 0.1518
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0602 0.0522
Echinococcus granulosus tar DNA binding protein 0.0076 0.1666 0.1595
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0602 0.0522
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0072 0.1518 0.1518
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0072 0.1518 0.2088
Onchocerca volvulus 0.0029 0.0084 0.0156
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0602 0.0616
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1666 0.1666
Loa Loa (eye worm) hypothetical protein 0.0029 0.0084 0.0084
Loa Loa (eye worm) glycosyl hydrolase family 2 0.0232 0.689 0.689
Brugia malayi manba-prov protein 0.0079 0.1749 0.1749
Brugia malayi hypothetical protein 0.0239 0.7104 0.7104
Loa Loa (eye worm) hypothetical protein 0.0029 0.0066 0.0066
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0072 0.1518 0.2088
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1666 0.1884

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 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

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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