Detailed information for compound 879776

Basic information

Technical information
  • TDR Targets ID: 879776
  • Name: 2-(2-methylphenyl)-3-[(4-methylsulfonylphenyl )methyl]-1,3-thiazolidin-4-one
  • MW: 361.478 | Formula: C18H19NO3S2
  • H donors: 0 H acceptors: 3 LogP: 2.9 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CSC(N1Cc1ccc(cc1)S(=O)(=O)C)c1ccccc1C
  • InChi: 1S/C18H19NO3S2/c1-13-5-3-4-6-16(13)18-19(17(20)12-23-18)11-14-7-9-15(10-8-14)24(2,21)22/h3-10,18H,11-12H2,1-2H3
  • InChiKey: SGRXRZHENQBQBB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]thiazolidin-4-one
  • 2-(2-methylphenyl)-3-[(4-methylsulfonylphenyl)methyl]-4-thiazolidinone
  • 3-(4-mesylbenzyl)-2-(2-methylphenyl)thiazolidin-4-one
  • Oprea1_557532

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 chromobox protein, putative 0.0047 0.0985 0.0985
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0041 0.0751 0.0325
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.1833 0.6882
Brugia malayi glutathione reductase 0.0096 0.2664 0.2664
Mycobacterium tuberculosis Probable lipase LipE 0.0041 0.0751 0.0325
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.0192 0.0192
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0751 0.0751
Brugia malayi chromobox protein homolog 3 0.0044 0.0869 0.0869
Loa Loa (eye worm) thioredoxin reductase 0.0096 0.2664 0.2664
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Mycobacterium tuberculosis Probable lipase LipD 0.0041 0.0751 0.0325
Onchocerca volvulus 0.0041 0.0751 0.762
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Schistosoma mansoni chromobox protein 0.0079 0.2062 0.2062
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0751 0.0751
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0219 0.6913 0.8795
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0497 0.0497
Treponema pallidum NADH oxidase 0.0033 0.0497 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0751 0.0751
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Trypanosoma cruzi trypanothione reductase, putative 0.0096 0.2664 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 0.2664 0.2774
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0751 0.2796
Mycobacterium ulcerans lipase LipD 0.0041 0.0751 0.0267
Schistosoma mansoni chromobox protein 0.0079 0.2062 0.2062
Entamoeba histolytica cysteine proteinase, putative 0.0019 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0425 0.0425
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0243 0.7757 0.9291
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0751 0.0751
Loa Loa (eye worm) beta-lactamase 0.0041 0.0751 0.0751
Trichomonas vaginalis glutaminase, putative 0.0308 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0869 0.0869
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.1833 0.6882
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0985 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0497 0.1865
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0497 0.0497
Mycobacterium tuberculosis Probable dehydrogenase 0.0219 0.6913 0.8211
Echinococcus granulosus chromobox protein 1 0.0079 0.2062 0.7685
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0041 0.0751 0.0325
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0497 0.1865
Trichomonas vaginalis chromobox protein, putative 0.0079 0.2062 0.2062
Onchocerca volvulus 0.0035 0.0541 0.5489
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0219 0.6913 0.8211
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0751 0.0751
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0751 0.0751
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0497 0.1865
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.2684 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0751 0.0325
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0751 0.2817
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0985 0.0985
Brugia malayi Thioredoxin reductase 0.0096 0.2664 0.2664
Mycobacterium tuberculosis Probable esterase LipL 0.0041 0.0751 0.0325
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0243 0.7757 0.9291
Loa Loa (eye worm) heterochromatin protein 1 0.0079 0.2062 0.2062
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0497 0.1865
Leishmania major cathepsin L-like protease 0.0072 0.1833 0.6882
Plasmodium vivax thioredoxin reductase, putative 0.0096 0.2664 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0751 0.0267
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0497 0.5
Plasmodium falciparum thioredoxin reductase 0.0096 0.2664 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0751 0.0267
Entamoeba histolytica cysteine protease, putative 0.0019 0 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0497 0.0497
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0259 0.8311 1
Leishmania major hypothetical protein, conserved 0.0041 0.0751 0.2817
Trypanosoma cruzi cruzipain precursor, putative 0.0072 0.1833 0.6882
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0497 0.5
Echinococcus multilocularis chromobox protein 1 0.0079 0.2062 0.7685
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0751 0.0751
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0751 0.0751
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0497 0.1865
Onchocerca volvulus 0.0041 0.0751 0.762
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0751 0.2796
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0497 0.1851
Leishmania major cathepsin L-like protease 0.0072 0.1833 0.6882
Loa Loa (eye worm) hypothetical protein 0.0041 0.0751 0.0751
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0219 0.6913 0.8211
Brugia malayi beta-lactamase family protein 0.0041 0.0751 0.0751
Schistosoma mansoni glutaminase 0.0308 1 1
Trypanosoma brucei trypanothione reductase 0.0096 0.2664 1
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0751 0.1171
Entamoeba histolytica cysteine proteinase, putative 0.0019 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0751 0.0751
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0497 0.1865
Leishmania major cathepsin L-like protease 0.0072 0.1833 0.6882
Echinococcus granulosus chromobox protein 1 0.0079 0.2062 0.7685
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.0192 0.0192
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0751 0.0751
Brugia malayi beta-lactamase 0.0041 0.0751 0.0751
Mycobacterium ulcerans hypothetical protein 0.0041 0.0751 0.0267
Trichomonas vaginalis esterase, putative 0.0041 0.0751 0.0751
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0425 0.0425
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.2684 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0751 0.0751
Trypanosoma cruzi cysteine peptidase, putative 0.0072 0.1833 0.6882
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0219 0.6913 0.8211
Loa Loa (eye worm) hypothetical protein 0.0044 0.0869 0.0869
Mycobacterium tuberculosis Probable oxidoreductase 0.0243 0.7757 0.9291
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.0869 0.0869
Brugia malayi beta-lactamase family protein 0.0041 0.0751 0.0751
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0869 0.8827
Loa Loa (eye worm) hypothetical protein 0.0041 0.0751 0.0751
Trichomonas vaginalis chromobox protein, putative 0.0079 0.2062 0.2062
Plasmodium falciparum glutathione reductase 0.0096 0.2664 1
Loa Loa (eye worm) glutathione reductase 0.0096 0.2664 0.2664
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0497 0.1865
Brugia malayi Heterochromatin protein 1 0.0079 0.2062 0.2062
Mycobacterium tuberculosis Probable reductase 0.0219 0.6913 0.8211
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0751 0.2817
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0497 0.1851
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Mycobacterium tuberculosis Conserved protein 0.0041 0.0751 0.0325
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0497 0.1865
Plasmodium vivax glutathione reductase, putative 0.0096 0.2664 1
Mycobacterium tuberculosis Probable hydrolase 0.0041 0.0751 0.0325
Plasmodium falciparum thioredoxin reductase 0.0033 0.0497 0.1865
Giardia lamblia NADH oxidase lateral transfer candidate 0.0033 0.0497 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0751 0.0751
Toxoplasma gondii thioredoxin reductase 0.0096 0.2664 1
Onchocerca volvulus 0.0041 0.0751 0.762
Mycobacterium ulcerans beta-lactamase 0.0041 0.0751 0.0267
Loa Loa (eye worm) glutaminase 2 0.0308 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0066 0.1618 0.6072
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Loa Loa (eye worm) glutaminase 0.0308 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0497 0.1865
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0041 0.0751 0.0325
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0497 0.1865
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0497 0.0497
Mycobacterium ulcerans glutaminase 0.0308 1 1
Mycobacterium tuberculosis Conserved protein 0.0041 0.0751 0.0325
Loa Loa (eye worm) hypothetical protein 0.0035 0.0541 0.0541
Toxoplasma gondii ABC1 family protein 0.0041 0.0751 0.2817
Leishmania major trypanothione reductase 0.0096 0.2664 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0497 0.1865
Plasmodium falciparum glutathione reductase 0.0033 0.0497 0.1865
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0072 0.1833 0.6167
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0497 0.1865
Loa Loa (eye worm) hypothetical protein 0.0041 0.0751 0.0751
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.1301 0.4885
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0751 0.2817
Echinococcus multilocularis chromobox protein 1 0.0079 0.2062 0.7685
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0219 0.6913 0.8211
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0243 0.7757 1

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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