Detailed information for compound 729154

Basic information

Technical information
  • TDR Targets ID: 729154
  • Name: N-(2-methylsulfanylphenyl)-2-(methylsulfonyl- phenylamino)propanamide
  • MW: 364.482 | Formula: C17H20N2O3S2
  • H donors: 1 H acceptors: 3 LogP: 2.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccccc1NC(=O)C(N(S(=O)(=O)C)c1ccccc1)C
  • InChi: 1S/C17H20N2O3S2/c1-13(17(20)18-15-11-7-8-12-16(15)23-2)19(24(3,21)22)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,18,20)
  • InChiKey: QTTBXPSTUKZINO-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-methylsulfanylphenyl)-2-(methylsulfonyl-phenyl-amino)propanamide
  • 2-(methylsulfonyl-phenylamino)-N-[2-(methylthio)phenyl]propanamide
  • 2-(mesyl-phenyl-amino)-N-[2-(methylthio)phenyl]propionamide
  • CBKinase1_007206
  • CBKinase1_019606

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
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0515 0.067
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.3334
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0515 0.5
Schistosoma mansoni hypothetical protein 0.0245 0.7065 0.9197
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.044 0.285
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0515 0.2102
Schistosoma mansoni thyroid hormone receptor 0.0265 0.7682 1
Echinococcus granulosus chromobox protein 1 0.0069 0.1543 0.1543
Schistosoma mansoni chromobox protein 0.0069 0.1543 0.2009
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0686 0.7321
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0245 0.7065 0.7065
Loa Loa (eye worm) hypothetical protein 0.003 0.0333 0.2155
Schistosoma mansoni cellular tumor antigen P53 0.005 0.0937 0.122
Loa Loa (eye worm) hypothetical protein 0.0049 0.0929 0.6019
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0515 0.2102
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0929 0.6019
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0594 0.634
Brugia malayi Heterochromatin protein 1 0.0069 0.1543 1
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.1543 1
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0515 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0515 0.5
Brugia malayi chromobox protein homolog 3 0.0039 0.0594 0.385
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0515 0.5
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0515 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.3334
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0515 0.2102
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0929 0.6019
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0686 0.3419
Schistosoma mansoni chromobox protein 0.0069 0.1543 0.2009
Brugia malayi beta-lactamase family protein 0.0036 0.0515 0.3334
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0594 0.2714
Echinococcus multilocularis chromobox protein 1 0.0069 0.1543 0.1543
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0515 0.3334
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0245 0.7065 0.7065
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1543 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0265 0.7682 0.7682
Schistosoma mansoni hypothetical protein 0.0034 0.044 0.0573
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.3334
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.3334
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0515 0.2102
Loa Loa (eye worm) beta-lactamase 0.0036 0.0515 0.3334
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0515 0.2102
Mycobacterium ulcerans lipase LipD 0.0036 0.0515 0.5
Echinococcus multilocularis chromobox protein 1 0.0069 0.1543 0.1543
Echinococcus granulosus chromobox protein 1 0.0069 0.1543 0.1543
Leishmania major hypothetical protein, conserved 0.0036 0.0515 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0929 0.6019
Brugia malayi beta-lactamase family protein 0.0036 0.0515 0.3334
Schistosoma mansoni thyroid hormone receptor 0.0265 0.7682 1
Onchocerca volvulus 0.0036 0.0515 0.549
Trichomonas vaginalis chromobox protein, putative 0.0069 0.1543 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.3334
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0686 0.3419
Onchocerca volvulus 0.0036 0.0515 0.549
Loa Loa (eye worm) hypothetical protein 0.0036 0.0515 0.3334
Mycobacterium leprae Probable lipase LipE 0.0036 0.0515 0.5
Onchocerca volvulus 0.0036 0.0515 0.549
Onchocerca volvulus 0.003 0.0333 0.3549
Loa Loa (eye worm) hypothetical protein 0.0034 0.044 0.285
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0515 0.0515
Toxoplasma gondii ABC1 family protein 0.0036 0.0515 0.5
Brugia malayi beta-lactamase 0.0036 0.0515 0.3334
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0594 0.2714
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.6611 1
Trichomonas vaginalis esterase, putative 0.0036 0.0515 0.2102
Loa Loa (eye worm) hypothetical protein 0.005 0.0937 0.6072
Mycobacterium ulcerans beta-lactamase 0.0036 0.0515 0.5
Loa Loa (eye worm) hypothetical protein 0.0039 0.0594 0.385
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0515 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0515 0.067
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0515 0.5
Onchocerca volvulus 0.005 0.0937 1
Echinococcus multilocularis tumor protein p63 0.0339 1 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0515 0.3334
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0515 0.0515
Mycobacterium ulcerans hypothetical protein 0.0036 0.0515 0.5

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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