Detailed information for compound 844829

Basic information

Technical information
  • TDR Targets ID: 844829
  • Name: 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)su lfonyl]amino]-N-[(4-methylphenyl)methyl]aceta mide
  • MW: 403.518 | Formula: C19H21N3O3S2
  • H donors: 1 H acceptors: 4 LogP: 3.13 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(S(=O)(=O)c1ccc2c(c1)sc(n2)C)C)NCc1ccc(cc1)C
  • InChi: 1S/C19H21N3O3S2/c1-13-4-6-15(7-5-13)11-20-19(23)12-22(3)27(24,25)16-8-9-17-18(10-16)26-14(2)21-17/h4-10H,11-12H2,1-3H3,(H,20,23)
  • InChiKey: SGJQCNIMQXITSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-methylbenzyl)-2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]acetamide
  • 2-[methyl-[(2-methyl-1,3-benzothiazol-6-yl)sulfonyl]amino]-N-[(4-methylphenyl)methyl]ethanamide

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
Plasmodium vivax farnesyltransferase beta subunit, putative 0.0452 0.0923 0.0923
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0715 0.2053 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0715 0.2053 0.2053
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1112 0.3758 0.3758
Plasmodium falciparum protein farnesyltransferase subunit beta 0.0452 0.0923 0.0923
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0452 0.0923 0.0923
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0452 0.0923 0.0923
Entamoeba histolytica geranylgeranyl transferase beta subunit 0.1112 0.3758 0.3758
Trypanosoma cruzi protein farnesyltransferase, putative 0.0452 0.0923 0.4494
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0715 0.2053 0.2053
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0715 0.2053 0.1245
Leishmania major farnesyltransferase beta subunit 0.0452 0.0923 0.4494
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.2566 1 1
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0715 0.2053 1
Echinococcus granulosus geranylgeranyl transferase type I beta subunit 0.1112 0.3758 0.3123
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0715 0.2053 1
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.1112 0.3758 0.3758
Giardia lamblia Prenyltransferase 0.0452 0.0923 0.0923
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2566 1 1
Toxoplasma gondii prenyltransferase and squalene oxidase repeat-containing protein 0.0452 0.0923 0.1331
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.2566 1 1
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0715 0.2053 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.2566 1 1
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.2566 1 1
Loa Loa (eye worm) hypothetical protein 0.2566 1 1
Plasmodium vivax prenyltransferase alpha subunit, putative 0.2566 1 1
Giardia lamblia Rab geranylgeranyltransferase 0.2566 1 1
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.0452 0.0923 0.0923
Trypanosoma cruzi hypothetical protein, conserved 0.0715 0.2053 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0715 0.2053 0.2053
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0715 0.2053 1
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.2566 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.1112 0.3758 0.3758
Onchocerca volvulus 0.0715 0.2053 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.2566 1 1
Loa Loa (eye worm) prenyltransferase and squalene oxidase repeat family protein 0.0452 0.0923 0.0923
Echinococcus multilocularis geranylgeranyl transferase type I beta subunit 0.1112 0.3758 0.3758
Trichomonas vaginalis geranylgeranyl transferase type II beta subunit, putative 0.0452 0.0923 0.0923
Toxoplasma gondii hypothetical protein 0.0715 0.2053 0.2962
Entamoeba histolytica protein farnesyltransferase beta subunit, putative 0.0452 0.0923 0.0923
Schistosoma mansoni geranylgeranyl transferase type I beta subunit 0.1112 0.3758 0.3758
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0715 0.2053 0.1245
Toxoplasma gondii hypothetical protein 0.1851 0.6931 1
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0715 0.2053 1
Giardia lamblia Rab geranylgeranyltransferase 0.0715 0.2053 0.2053
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0715 0.2053 0.2053
Trypanosoma brucei protein farnesyltransferase beta subunit 0.0452 0.0923 0.4494
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.2566 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0715 0.2053 1
Trypanosoma cruzi lanosterol synthase, putative 0.0386 0.064 0.3118
Schistosoma mansoni protein farnesyltransferase subunit beta 0.0452 0.0923 0.0923
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0715 0.2053 0.2053
Trichomonas vaginalis type I geranylgeranyltransferase beta subunit, putative 0.0452 0.0923 0.0923
Trypanosoma cruzi protein farnesyltransferase, putative 0.0452 0.0923 0.4494
Trypanosoma brucei lanosterol synthase 0.0386 0.064 0.3118
Echinococcus multilocularis protein farnesyltransferase subunit beta 0.0452 0.0923 0.0923
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0715 0.2053 0.2053
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0715 0.2053 1
Trypanosoma cruzi lanosterol synthase, putative 0.0386 0.064 0.3118
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.2566 1 1
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0715 0.2053 0.2053
Brugia malayi Prenyltransferase and squalene oxidase repeat family protein 0.1112 0.3758 0.3758
Mycobacterium tuberculosis Halimadienyl diphosphate synthase 0.0386 0.064 0.5
Trichomonas vaginalis geranylgeranyl transferase type I beta subunit, putative 0.0452 0.0923 0.0923
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0715 0.2053 0.2053
Trypanosoma cruzi hypothetical protein, conserved 0.0715 0.2053 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.1851 0.6931 0.6931
Trichomonas vaginalis geranylgeranyl transferase type beta subunit, putative 0.0452 0.0923 0.0923
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0715 0.2053 0.2053

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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