Detailed information for compound 615912

Basic information

Technical information
  • TDR Targets ID: 615912
  • Name: 3-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyph enyl)-1,3-thiazolidine
  • MW: 363.494 | Formula: C18H21NO3S2
  • H donors: 0 H acceptors: 2 LogP: 3.82 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1SCCN1S(=O)(=O)c1ccc(c(c1)C)C
  • InChi: 1S/C18H21NO3S2/c1-13-4-9-17(12-14(13)2)24(20,21)19-10-11-23-18(19)15-5-7-16(22-3)8-6-15/h4-9,12,18H,10-11H2,1-3H3
  • InChiKey: VPUYAXHWMXWNCP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4-dimethylphenyl)sulfonyl-2-(4-methoxyphenyl)thiazolidine
  • AQ-432/41568452
  • T5240742

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 Smad4 0.0034 0.013 0.0176
Loa Loa (eye worm) transcription factor SMAD2 0.0501 0.349 0.5964
Loa Loa (eye worm) hypothetical protein 0.0108 0.0658 0.1125
Loa Loa (eye worm) hypothetical protein 0.002 0.0025 0.0043
Plasmodium vivax vivapain-2 0.002 0.0025 0.5
Echinococcus multilocularis cysteine protease 0.002 0.0025 0.0043
Loa Loa (eye worm) MH1 domain-containing protein 0.0034 0.013 0.0222
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0308 0.21 0.3567
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0717 0.5043 0.5187
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0175
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0829 0.5852 1
Echinococcus granulosus tumor protein p63 0.04 0.276 0.4717
Trypanosoma brucei carbonic anhydrase-like protein 0.0829 0.5852 1
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0422 0.068
Brugia malayi Smad1 0.0034 0.013 0.0188
Schistosoma mansoni smad 0.0034 0.013 0.0176
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0308 0.21 0.3567
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.1045 0.7401 0.5
Echinococcus granulosus carbonic anhydrase 0.0308 0.21 0.3589
Echinococcus multilocularis carbonic anhydrase 0.0308 0.21 0.3589
Brugia malayi MH2 domain containing protein 0.0501 0.349 0.595
Loa Loa (eye worm) hypothetical protein 0.0308 0.21 0.3589
Schistosoma mansoni smad1 5 8 and 0.0034 0.013 0.0176
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1078 0.7642 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0129 0.0187
Echinococcus granulosus carbonic anhydrase 0.0308 0.21 0.3589
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0422 0.068
Brugia malayi Cathepsin L-like precursor 0.002 0.0025 0.0009
Schistosoma mansoni carbonic anhydrase 0.1045 0.7401 1
Leishmania major cathepsin L-like protease 0.0075 0.0422 0.0537
Trichomonas vaginalis conserved hypothetical protein 0.1406 1 1
Leishmania major carbonic anhydrase-like protein 0.0829 0.5852 0.7899
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0829 0.5852 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0829 0.5852 1
Brugia malayi MH1 domain containing protein 0.0034 0.013 0.0188
Plasmodium vivax vivapain-2 0.002 0.0025 0.5
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0025 0.0043
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0025 0.0043
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0025 0.0043
Schistosoma mansoni cellular tumor antigen P53 0.0058 0.0305 0.0413
Echinococcus multilocularis GPCR, family 2 0.0034 0.0129 0.0221
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0308 0.21 0.3589
Echinococcus granulosus cathepsin l1 0.002 0.0025 0.0043
Echinococcus granulosus smad 0.0034 0.013 0.0222
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0129 0.0221
Toxoplasma gondii hypothetical protein 0.0308 0.21 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0025 0.0009
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0025 0.0043
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0129 0.0221
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0034 0.013 0.0176
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0308 0.21 0.3567
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0829 0.5852 0.7907
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0308 0.21 0.3567
Echinococcus granulosus microtubule associated protein 2 0.0713 0.5017 0.8573
Loa Loa (eye worm) hypothetical protein 0.0308 0.21 0.3589
Trypanosoma cruzi major cysteine proteinase, putative 0.0059 0.0307 0.0483
Loa Loa (eye worm) hypothetical protein 0.0074 0.0413 0.0706
Schistosoma mansoni microtubule-associated protein tau 0.0713 0.5017 0.6779
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0308 0.21 0.3567
Echinococcus multilocularis microtubule associated protein 2 0.0713 0.5017 0.8573
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0068 0.0375 0.06
Schistosoma mansoni carbonic anhydrase-related 0.0308 0.21 0.2838
Trichomonas vaginalis conserved hypothetical protein 0.1406 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.0422 0.068
Entamoeba histolytica carbonic anhydrase, putative 0.1045 0.7401 1
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0025 0.0034
Loa Loa (eye worm) hypothetical protein 0.0019 0.002 0.0035
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.0422 0.068
Brugia malayi latrophilin 2 splice variant baaae 0.0074 0.0413 0.0674
Leishmania major cathepsin L-like protease 0.0075 0.0422 0.0537
Schistosoma mansoni hypothetical protein 0.0074 0.0413 0.0559
Loa Loa (eye worm) cysteine protease 0.002 0.0025 0.0043
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0108 0.0658 0.1125
Leishmania major carbonic anhydrase family protein, putative 0.1045 0.7401 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0129 0.0221
Echinococcus granulosus mothers against decapentaplegic 5 0.0034 0.013 0.0222
Echinococcus granulosus carbonic anhydrase II 0.0829 0.5852 1
Plasmodium falciparum carbonic anhydrase 0.0308 0.21 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0108 0.0658 0.1094
Onchocerca volvulus 0.0058 0.0305 1
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0129 0.0187
Loa Loa (eye worm) MH2 domain-containing protein 0.0034 0.013 0.0222
Schistosoma mansoni hypothetical protein 0.0308 0.21 0.2838
Schistosoma mansoni carbonic anhydrase-related 0.0308 0.21 0.2838
Echinococcus multilocularis mothers against decapentaplegic 5 0.0034 0.013 0.0222
Brugia malayi MH1 domain containing protein 0.0034 0.013 0.0188
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0129 0.0221
Loa Loa (eye worm) Smad1 0.0034 0.013 0.0222
Schistosoma mansoni carbonic anhydrase 0.0308 0.21 0.2838
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0175
Echinococcus granulosus GPCR family 2 0.0034 0.0129 0.0221
Loa Loa (eye worm) hypothetical protein 0.0034 0.0129 0.0221
Loa Loa (eye worm) ctsf protein 0.002 0.0025 0.0043
Loa Loa (eye worm) hypothetical protein 0.0058 0.0305 0.0522
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0129 0.0221
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0082 0.0472 0.0806
Echinococcus granulosus carbonic anhydrase 0.0308 0.21 0.3589
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0025 0.0009
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0829 0.5852 1
Loa Loa (eye worm) nuclear factor I 0.0019 0.002 0.0035
Echinococcus multilocularis carbonic anhydrase 0.0308 0.21 0.3589
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0025 0.0043
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0025 0.0034
Echinococcus granulosus TGF beta signal transducer SmadC 0.0034 0.013 0.0222
Loa Loa (eye worm) MH2 domain-containing protein 0.0501 0.349 0.5964
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0829 0.5852 0.7907
Brugia malayi MH2 domain containing protein 0.0034 0.013 0.0188
Brugia malayi Cathepsin L-like precursor 0.002 0.0025 0.0009
Loa Loa (eye worm) hypothetical protein 0.0308 0.21 0.3589
Leishmania major cathepsin L-like protease 0.0075 0.0422 0.0537
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0829 0.5852 1
Schistosoma mansoni smad1 5 8 and 0.0034 0.013 0.0176
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0175
Echinococcus multilocularis Smad4 0.0034 0.013 0.0222
Brugia malayi Cathepsin L-like precursor 0.002 0.0025 0.0009
Echinococcus granulosus nuclear factor of activated T cells 5 0.0082 0.0472 0.0806
Echinococcus multilocularis smad 0.0034 0.013 0.0222
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0025 0.0043
Schistosoma mansoni smad1 5 8 and 0.0034 0.013 0.0176
Echinococcus multilocularis carbonic anhydrase II 0.0829 0.5852 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0025 0.0043
Echinococcus multilocularis cysteine protease 0.002 0.0025 0.0043
Echinococcus multilocularis tumor protein p63 0.04 0.276 0.4717
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0034 0.013 0.0222
Brugia malayi Calcitonin receptor-like protein seb-1 0.0108 0.0658 0.1094
Echinococcus granulosus Smad4 0.0034 0.013 0.0222
Schistosoma mansoni carbonic anhydrase-related 0.0308 0.21 0.2838
Brugia malayi Cathepsin L-like precursor 0.002 0.0025 0.0009
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0025 0.0043
Brugia malayi MH2 domain containing protein 0.0034 0.013 0.0188
Brugia malayi Cathepsin L-like precursor 0.002 0.0025 0.0009
Schistosoma mansoni hypothetical protein 0.0034 0.0129 0.0175
Echinococcus multilocularis carbonic anhydrase 0.0308 0.21 0.3589
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0829 0.5852 1
Loa Loa (eye worm) fibroinase 0.002 0.0025 0.0043

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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