Detailed information for compound 684987

Basic information

Technical information
  • TDR Targets ID: 684987
  • Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-meth ylsulfonylbenzamide
  • MW: 360.451 | Formula: C17H16N2O3S2
  • H donors: 1 H acceptors: 4 LogP: 3.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1S(=O)(=O)C)Nc1sc2c(n1)c(C)c(cc2)C
  • InChi: 1S/C17H16N2O3S2/c1-10-8-9-13-15(11(10)2)18-17(23-13)19-16(20)12-6-4-5-7-14(12)24(3,21)22/h4-9H,1-3H3,(H,18,19,20)
  • InChiKey: RDUZWKWSSMFWFX-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide
  • N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-mesyl-benzamide
  • ZINC04517769

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
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0491 0.2207
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0181 0.0722
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0186 0.0865 0.403
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0143 0.0572
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0181 0.0722
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0132 0.0527
Echinococcus granulosus neuropeptide receptor A26 0.0494 0.2508 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0132 0.0527
Echinococcus multilocularis 6 phosphofructokinase 0.0116 0.0491 0.1959
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0491 0.2352
Brugia malayi 6-phosphofructokinase 0.0116 0.0491 0.2302
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0132 0.0527
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0415 0.2088 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0143 0.0572
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0491 0.2007
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.0186 0.0865 0.3449
Loa Loa (eye worm) hypothetical protein 0.0051 0.0143 0.0266
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0415 0.2088 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0201 0.0943 0.3761
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0143 0.0687
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.1899 1 1
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0116 0.0491 0.2207
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0132 0.021
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.0186 0.0865 0.403
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0143 0.0687
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0143 0.0572
Brugia malayi 6-phosphofructokinase 0.0116 0.0491 0.2302
Brugia malayi Bromodomain containing protein 0.008 0.0299 0.1376
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0181 0.0722
Loa Loa (eye worm) hypothetical protein 0.0046 0.0115 0.0122
Brugia malayi Bromodomain containing protein 0.0041 0.009 0.0368
Schistosoma mansoni hypothetical protein 0.031 0.1524 0.7301
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0415 0.2088 1
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0415 0.2088 1
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0415 0.2088 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0212 0.0845
Loa Loa (eye worm) hypothetical protein 0.0415 0.2088 1
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.1899 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0132 0.0572
Plasmodium falciparum phenylalanine--tRNA ligase 0.0186 0.0865 0.403
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0415 0.2088 1
Onchocerca volvulus 0.0051 0.0143 0.5
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0051 0.0143 0.5
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0491 0.2207
Echinococcus multilocularis neuropeptide s receptor 0.0494 0.2508 1
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0143 0.0572
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0415 0.2088 1
Schistosoma mansoni 6-phosphofructokinase 0.0116 0.0491 0.2352
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0143 0.0687
Echinococcus granulosus neuropeptide s receptor 0.0494 0.2508 1
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0143 0.0266
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0076 0.0304
Echinococcus multilocularis neuropeptide receptor A26 0.0494 0.2508 1
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.0186 0.0865 0.4141
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0132 0.0633
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0415 0.2088 0.8327
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0415 0.2088 1
Loa Loa (eye worm) phosphofructokinase 0.0116 0.0491 0.2007
Brugia malayi phosphofructokinase 0.0116 0.0491 0.2302
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0491 0.2207
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0132 0.0527
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0212 0.0845
Plasmodium falciparum phenylalanine--tRNA ligase 0.0154 0.0695 0.3203
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0132 0.0633
Brugia malayi mbt repeat family protein 0.0051 0.0143 0.0626
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0181 0.0867
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0136 0.0597 0.2858
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.0186 0.0865 0.4103
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0491 0.2207
Brugia malayi mbt repeat family protein 0.0051 0.0143 0.0626
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0136 0.0597 0.2723
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0415 0.2088 1
Loa Loa (eye worm) MBCTL1 0.0058 0.0181 0.0455
Entamoeba histolytica phosphofructokinase, putative 0.0116 0.0491 0.2207
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0415 0.2088 0.8327
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0181 0.0722
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0415 0.2088 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0275 0.0923
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0181 0.0808
Loa Loa (eye worm) hypothetical protein 0.0044 0.0104 0.0068
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.0186 0.0865 0.3877
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0491 0.2207
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0076 0.0304
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0201 0.0943 0.3761
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0415 0.2088 1
Echinococcus granulosus 6 phosphofructokinase 0.0116 0.0491 0.1959
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.1899 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0058 0.0181 0.0455
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0415 0.2088 1
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.0136 0.0597 0.2723
Schistosoma mansoni bromodomain containing protein 0.0068 0.0232 0.1112
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0136 0.0597 0.2723
Trichomonas vaginalis phosphofructokinase, putative 0.0116 0.0491 0.2207
Echinococcus granulosus phenylalanyl tRNA synthetase 0.0186 0.0865 0.3449
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.028 0.1363 1
Loa Loa (eye worm) 6-phosphofructokinase 0.0116 0.0491 0.2007
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0132 0.0633

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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