Detailed information for compound 280497

Basic information

Technical information
  • TDR Targets ID: 280497
  • Name: 3-(benzenesulfonyl)thiophene
  • MW: 224.299 | Formula: C10H8O2S2
  • H donors: 0 H acceptors: 2 LogP: 2.4 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=S(=O)(c1cscc1)c1ccccc1
  • InChi: 1S/C10H8O2S2/c11-14(12,10-6-7-13-8-10)9-4-2-1-3-5-9/h1-8H
  • InChiKey: LGGLKPFTYFIQSY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(phenylsulfonyl)thiophene
  • 3-besylthiophene
  • 3-phenylsulfonylthiophene
  • 16718-05-1
  • 3-Benzenesulphonylthiophene
  • ST026237
  • Maybridge1_004851
  • ZINC00115889

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
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.3175 0.3175
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0008 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0008 0 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0008 0 0.5
Brugia malayi intermediate filament protein 0.0028 0.0285 0.0896
Mycobacterium leprae putative cytochrome p450 0.0008 0 0.5
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0285 0.0896
Echinococcus multilocularis lamin 0.0028 0.0285 0.0285
Schistosoma mansoni lamin 0.0028 0.0285 0.0285
Schistosoma mansoni lamin 0.0028 0.0285 0.0285
Giardia lamblia Multidrug resistance-associated protein 1 0.0031 0.033 0.9886
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0031 0.0333 1
Brugia malayi multidrug resistance related protein 1 0.0031 0.0333 0.105
Loa Loa (eye worm) hypothetical protein 0.0031 0.0333 0.105
Schistosoma mansoni intermediate filament proteins 0.0028 0.0285 0.0285
Schistosoma mansoni microtubule-associated protein tau 0.0715 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0285 0.0896
Loa Loa (eye worm) hypothetical protein 0.0031 0.0333 0.105
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0031 0.0333 1
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0031 0.0333 1
Echinococcus granulosus lamin 0.0028 0.0285 0.0285
Trypanosoma brucei multidrug resistance protein E 0.0031 0.0333 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0019 0.0058
Loa Loa (eye worm) hypothetical protein 0.0018 0.0139 0.0437
Entamoeba histolytica ATP-binding cassette protein, putative 0.0031 0.0333 1
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0019 0.0058
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0031 0.0333 1
Trypanosoma cruzi hypothetical protein 0.0024 0.023 0.6908
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0015 0.0098 0.0389
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0008 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0285 0.0896
Loa Loa (eye worm) RecQ helicase 0.0022 0.0202 0.0637
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0008 0 0.5
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0013 0.008 0.0252
Schistosoma mansoni multidrug resistance protein 0.0031 0.0333 0.0333
Echinococcus granulosus intermediate filament protein 0.0028 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.0232 0.3175 1
Echinococcus multilocularis microtubule associated protein 2 0.0715 1 1
Toxoplasma gondii hypothetical protein 0.0187 0.2529 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0019 0.0073
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.008 0.008
Loa Loa (eye worm) hypothetical protein 0.0187 0.2529 0.7966
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0008 0 0.5
Schistosoma mansoni DNA helicase recq1 0.0009 0.0019 0.0019
Giardia lamblia MRP-like ABC transporter 0.0031 0.0333 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0137 0.0431
Trypanosoma brucei p-glycoprotein 0.0031 0.0333 1
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.3175 0.3175
Entamoeba histolytica ATP-binding cassette protein, putative 0.0031 0.0333 1
Echinococcus granulosus lamin dm0 0.0028 0.0285 0.0285
Loa Loa (eye worm) hypothetical protein 0.0013 0.0073 0.023
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0137 0.4106
Entamoeba histolytica multidrug resistance protein, putative 0.0031 0.0333 1
Echinococcus multilocularis lamin dm0 0.0028 0.0285 0.0285
Leishmania major ABC-thiol transporter 0.0031 0.0333 1
Leishmania major cytochrome p450-like protein 0.0017 0.0137 0.4106
Giardia lamblia Multidrug resistance-associated protein 1 0.0031 0.0333 1
Schistosoma mansoni multidrug resistance protein 0.0031 0.0333 0.0333
Brugia malayi hypothetical protein 0.0232 0.3175 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0031 0.0333 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0136 0.0136
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0008 0 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0022 0.0202 1
Leishmania major pentamidine resistance protein 1 0.0031 0.0333 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0031 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.0187 0.2529 0.7966
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0008 0 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0031 0.0333 0.1318
Entamoeba histolytica ABC transporter, putative 0.0031 0.0333 1
Trypanosoma cruzi multidrug resistance protein E, putative 0.0031 0.0333 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0137 0.0431
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0008 0 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0019 0.0073
Brugia malayi Cytochrome P450 family protein 0.0017 0.0137 0.0431
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0019 0.0019
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0008 0 0.5
Schistosoma mansoni survival motor neuron protein 0.0047 0.056 0.056
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.0101 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0031 0.0333 1
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0019 0.0058
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0008 0 0.5
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0056 0.1695
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0008 0 0.5
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0187 0.2529 0.7966
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0019 0.0019
Brugia malayi ABC transporter transmembrane region family protein 0.0031 0.0333 0.105
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0008 0 0.5
Echinococcus multilocularis bloom syndrome protein 0.0022 0.0202 0.0202
Echinococcus granulosus multidrug resistance associated protein 7 0.0031 0.0333 0.0333
Echinococcus multilocularis multidrug resistance associated protein 1 0.0031 0.0333 0.0333
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0137 0.4106
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0019 0.0019
Loa Loa (eye worm) multidrug resistance-associated protein 0.0024 0.0234 0.0737
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0031 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0019 0.0058
Schistosoma mansoni multidrug resistance protein 0.0031 0.0333 0.0333
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0008 0 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0101 0.0319
Entamoeba histolytica ATP-binding cassette protein, putative 0.0031 0.0333 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0101 0.0319
Schistosoma mansoni hypothetical protein 0.0047 0.056 0.056
Onchocerca volvulus 0.0047 0.056 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0017 0.0137 1
Brugia malayi Cytochrome P450 family protein 0.0017 0.0137 0.0431
Echinococcus granulosus bloom syndrome protein 0.0022 0.0202 0.0202
Echinococcus multilocularis musashi 0.0028 0.0285 0.0285
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0031 0.0333 0.105
Echinococcus multilocularis multidrug resistance associated protein 4 0.0024 0.023 0.023
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.056 0.1763
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0008 0 0.5
Schistosoma mansoni DNA helicase recq5 0.0009 0.0019 0.0019
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0031 0.0333 1
Entamoeba histolytica hypothetical protein 0.0031 0.0333 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0019 0.0019
Trypanosoma brucei cytochrome P450, putative 0.0017 0.0137 0.4106
Entamoeba histolytica ATP-binding cassette protein, putative 0.0031 0.0333 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0008 0 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0008 0 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0285 0.0896
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0056 0.1695
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0008 0 0.5
Trichomonas vaginalis DNA helicase recq1, putative 0.0022 0.0202 1
Leishmania major p-glycoprotein e 0.0031 0.0333 1
Echinococcus granulosus multidrug resistance associated protein 4 0.0024 0.023 0.023
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0008 0 0.5
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0137 0.0431
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0012 0.0056 0.1695
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.0202 0.0637
Loa Loa (eye worm) hypothetical protein 0.0187 0.2529 0.7966
Loa Loa (eye worm) hypothetical protein 0.0013 0.0073 0.023
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.008 0.008
Giardia lamblia ABC transporter, putative 0.0031 0.0333 1
Echinococcus multilocularis multidrug resistance associated protein 7 0.0031 0.0333 0.0333
Loa Loa (eye worm) hypothetical protein 0.001 0.0026 0.0083
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0008 0 0.5
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0164 1
Schistosoma mansoni multidrug resistance protein 0.0031 0.0333 0.0333
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0031 0.0333 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.033 0.1039
Loa Loa (eye worm) hypothetical protein 0.0027 0.0277 0.0874

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 uM In vitro inhibition of inducible vascular cell adhesion molecule-1 (VCAM-1) expression in Human aortic endothelial cells (HAEC); NE denotes no effect ChEMBL. 12639572

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.

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