Detailed information for compound 786200

Basic information

Technical information
  • TDR Targets ID: 786200
  • Name: 5-chloro-N-[(4-methylphenyl)methyl]thiophene- 2-sulfonamide
  • MW: 301.812 | Formula: C12H12ClNO2S2
  • H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CNS(=O)(=O)c1ccc(s1)Cl
  • InChi: 1S/C12H12ClNO2S2/c1-9-2-4-10(5-3-9)8-14-18(15,16)12-7-6-11(13)17-12/h2-7,14H,8H2,1H3
  • InChiKey: RTNXEFCBLUZJJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-chloro-N-[(4-methylphenyl)methyl]-2-thiophenesulfonamide
  • 5-chloro-N-(4-methylbenzyl)thiophene-2-sulfonamide
  • ZINC00470342
  • 5-Chloro-thiophene-2-sulfonic acid 4-methyl-benzylamide
  • BAS 08206406

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
Brugia malayi RNA recognition motif domain containing 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
Echinococcus granulosus tar DNA 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
Schistosoma japonicum TAR DNA-binding protein 43, putative 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
Brugia malayi TAR-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
Schistosoma mansoni 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
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
Loa Loa (eye worm) RNA 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
Echinococcus multilocularis tar DNA binding protein 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
Leishmania major basic transcription factor 3a, putative 0.0035 0.1255 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.5477 0.8071
Brugia malayi Latrophilin receptor protein 2 0.0031 0.1025 0.1511
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.6786 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.1025 0.1025
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0631 0.5023
Schistosoma mansoni transcription factor btf3 0.0035 0.1255 0.1255
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.1255 1
Leishmania major hypothetical protein, conserved 0.0025 0.0631 0.5023
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0631 0.5023
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0631 0.5023
Entamoeba histolytica hypothetical protein 0.0035 0.1255 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.5477 0.8071
Loa Loa (eye worm) hypothetical protein 0.0031 0.1025 0.1511
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0631 0.5023
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.1255 0.5
Plasmodium falciparum basic transcription factor 3b, putative 0.0035 0.1255 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4 0.5895
Schistosoma mansoni hypothetical protein 0.0168 1 1
Echinococcus granulosus GPCR family 2 0.0031 0.1025 0.1025
Loa Loa (eye worm) ICD-1 protein 0.0035 0.1255 0.185
Schistosoma mansoni hypothetical protein 0.0031 0.1025 0.1025
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4 0.4
Echinococcus multilocularis GPCR, family 2 0.0031 0.1025 0.1025
Brugia malayi beta-NAC-like protein 0.0035 0.1255 0.185
Trypanosoma brucei transcription factor BTF3, putative 0.0035 0.1255 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.4 0.4
Echinococcus multilocularis geminin 0.0168 1 1
Brugia malayi hypothetical protein 0.0025 0.0631 0.0929
Schistosoma mansoni hypothetical protein 0.0031 0.1025 0.1025
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.1025 0.1025
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.1025 0.1511
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.6786 1
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.3417 0.5035
Schistosoma mansoni hypothetical protein 0.0031 0.1025 0.1025
Brugia malayi RNA binding protein 0.0076 0.4 0.5895
Echinococcus granulosus transcription factor btf3 0.0035 0.1255 0.1255
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4 0.4
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4 0.4
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.5477 0.8071
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4 0.4
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.1255 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.1025 0.1511
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0631 0.5023
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4 0.4
Loa Loa (eye worm) hypothetical protein 0.0025 0.0631 0.0929
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.1025 0.1025
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0631 0.5023
Entamoeba histolytica transcription factor BTF3, putative 0.0035 0.1255 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.1025 0.1025
Trypanosoma cruzi transcription factor btf3, putative 0.0035 0.1255 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4 0.4
Brugia malayi MH2 domain containing protein 0.0119 0.6786 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.4 0.5895
Toxoplasma gondii NAC domain-containing protein 0.0035 0.1255 1
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.1255 0.5
Schistosoma mansoni hypothetical protein 0.0068 0.3417 0.3417
Loa Loa (eye worm) hypothetical protein 0.0068 0.3417 0.5035
Schistosoma mansoni hypothetical protein 0.0031 0.1025 0.1025
Echinococcus multilocularis transcription factor btf3 0.0035 0.1255 0.1255
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0631 0.5023
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0099 0.5477 0.8071
Schistosoma mansoni hypothetical protein 0.0168 1 1
Brugia malayi hypothetical protein 0.0016 0.004 0.0059
Plasmodium vivax basic transcription factor 3b, putative 0.0035 0.1255 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4 0.5895
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4 0.5895
Brugia malayi TAR-binding protein 0.0076 0.4 0.5895

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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