Detailed information for compound 647064

Basic information

Technical information
  • TDR Targets ID: 647064
  • Name: 3-methyl-5-(3-phenylprop-2-enylidene)-1,3-thi azolidine-2,4-dione
  • MW: 245.297 | Formula: C13H11NO2S
  • H donors: 0 H acceptors: 2 LogP: 3.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1SC(=CC=Cc2ccccc2)C(=O)N1C
  • InChi: 1S/C13H11NO2S/c1-14-12(15)11(17-13(14)16)9-5-8-10-6-3-2-4-7-10/h2-9H,1H3/b8-5+,11-9-
  • InChiKey: IGXHINBGLNQNOR-PAUBHIBZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-thiazolidine-2,4-dione
  • 3-methyl-5-(3-phenylprop-2-enylidene)thiazolidine-2,4-dione
  • (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]thiazolidine-2,4-dione
  • 3-methyl-5-(3-phenylprop-2-enylidene)thiazolidine-2,4-quinone
  • (5Z)-3-methyl-5-[(E)-3-phenylprop-2-enylidene]thiazolidine-2,4-quinone
  • ZINC05094652
  • Bionet2_001174
  • 5W-0803

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 cathepsin F (C01 family) 0.0017 0.0596 0.0596
Leishmania major cathepsin L-like protease 0.0065 0.4047 1
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0596 0.0614
Schistosoma mansoni NADPH flavin oxidoreductase 0.0026 0.1254 0.1254
Entamoeba histolytica type A flavoprotein, putative 0.002 0.08 0.358
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Echinococcus granulosus cathepsin l1 0.0017 0.0596 0.0614
Trichomonas vaginalis NADPH cytochrome P450, putative 0.002 0.08 0.257
Schistosoma mansoni ap endonuclease 0.0019 0.0747 0.0747
Trichomonas vaginalis NADPH cytochrome P450, putative 0.002 0.08 0.257
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.002 0.08 0.257
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0596 0.1914
Brugia malayi Cathepsin L-like precursor 0.0017 0.0596 0.0596
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0747 0.24
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0052 0.3112 0.3208
Loa Loa (eye worm) cysteine protease 0.0017 0.0596 0.0414
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0747 0.24
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0052 0.3112 0.7689
Trichomonas vaginalis NADPH cytochrome P450, putative 0.002 0.08 0.257
Plasmodium vivax flavodoxin domain containing protein 0.0046 0.2686 0.8632
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.3046 0.7525
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0596 0.0596
Echinococcus granulosus methionine synthase reductase 0.0032 0.168 0.1731
Onchocerca volvulus 0.0017 0.0596 1
Leishmania major cytochrome P450 reductase, putative 0.0046 0.2686 0.6057
Brugia malayi Cathepsin L-like precursor 0.0017 0.0596 0.0596
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0052 0.3112 0.7689
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 1 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.3641 0.8997
Leishmania major p450 reductase, putative 0.0052 0.3112 0.729
Onchocerca volvulus 0.0017 0.0596 1
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0046 0.2686 0.8632
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0747 0.1845
Echinococcus multilocularis methionine synthase reductase 0.0032 0.168 0.168
Brugia malayi Cathepsin L-like precursor 0.0017 0.0596 0.0596
Loa Loa (eye worm) ctsf protein 0.0017 0.0596 0.0414
Leishmania major cathepsin L-like protease 0.0065 0.4047 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0596 0.1914
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0596 0.1914
Treponema pallidum flavodoxin 0.002 0.08 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0032 0.168 0.168
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.019 0.0609
Onchocerca volvulus 0.0017 0.0596 1
Giardia lamblia Hypothetical protein 0.0046 0.2686 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0596 0.0596
Loa Loa (eye worm) hypothetical protein 0.0052 0.3112 0.2979
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0596 0.2666
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.2494 0.8015
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0747 0.24
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Loa Loa (eye worm) acetyltransferase 0.0148 1 1
Brugia malayi Cathepsin L-like cysteine proteinase 0.0011 0.019 0.019
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0596 0.2666
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0596 0.0414
Brugia malayi Cathepsin L-like precursor 0.0011 0.019 0.019
Echinococcus granulosus histone acetyltransferase KAT2B 0.0144 0.9702 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0052 0.3112 0.3112
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0052 0.3112 0.7689
Toxoplasma gondii flavodoxin domain-containing protein 0.0026 0.1225 0.3317
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0747 0.0747
Brugia malayi Cathepsin L-like precursor 0.0011 0.019 0.019
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.2494 0.2571
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.4047 1
Trichomonas vaginalis sulfite reductase, putative 0.0052 0.3112 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0052 0.3112 1
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0596 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Loa Loa (eye worm) hypothetical protein 0.0017 0.0596 0.0414
Leishmania major hypothetical protein, conserved 0.002 0.08 0.0591
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0052 0.3112 0.3208
Giardia lamblia Histone acetyltransferase GCN5 0.004 0.2234 0.7666
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Chlamydia trachomatis sulfite reductase 0.0032 0.168 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0747 0.0438
Brugia malayi FAD binding domain containing protein 0.0032 0.168 0.168
Entamoeba histolytica cysteine protease, putative 0.0017 0.0596 0.2666
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0596 0.0596
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0011 0.019 0.0609
Plasmodium falciparum histone acetyltransferase GCN5 0.004 0.2234 0.7177
Loa Loa (eye worm) FAD binding domain-containing protein 0.0052 0.3112 0.2979
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.4047 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.2494 0.8015
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0747 0.0747
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Schistosoma mansoni cathepsin F (C01 family) 0.0011 0.019 0.019
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Brugia malayi Cathepsin L-like precursor 0.0017 0.0596 0.0596
Brugia malayi flavodoxin family protein 0.0052 0.3112 0.3112
Toxoplasma gondii exonuclease III APE 0.0019 0.0747 0.0797
Entamoeba histolytica type A flavoprotein, putative 0.002 0.08 0.358
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.2494 1
Plasmodium vivax vivapain-2 0.0017 0.0596 0.1914
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0747 0.3344
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0747 0.1845
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0052 0.3112 0.7689
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0596 0.1914
Schistosoma mansoni cytochrome P450 reductase 0.0052 0.3112 0.3112
Schistosoma mansoni ap endonuclease 0.0019 0.0747 0.0747
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Echinococcus multilocularis cysteine protease 0.0017 0.0596 0.0596
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0747 0.077
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0596 0.0596
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.2234 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0596 0.1914
Onchocerca volvulus 0.0017 0.0596 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.002 0.08 0.1976
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0052 0.3112 0.729
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.4047 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0596 0.0596
Brugia malayi Cathepsin L-like precursor 0.0017 0.0596 0.0596
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0052 0.3112 0.7689
Onchocerca volvulus 0.0017 0.0596 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Trypanosoma cruzi p450 reductase, putative 0.0052 0.3112 0.7689
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0596 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Schistosoma mansoni diflavin oxidoreductase 0.0026 0.1225 0.1225
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0052 0.3112 0.7689
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0747 0.5
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.2494 1
Loa Loa (eye worm) fibroinase 0.0017 0.0596 0.0414
Entamoeba histolytica type A flavoprotein, putative 0.002 0.08 0.358
Leishmania major cathepsin L-like protease 0.0065 0.4047 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0026 0.1225 0.3317
Entamoeba histolytica type A flavoprotein, putative 0.002 0.08 0.358
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.002 0.08 0.1976
Brugia malayi flavodoxin family protein 0.002 0.08 0.08
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0747 0.1845
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.2494 0.8015
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0596 0.0596
Onchocerca volvulus 0.0017 0.0596 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.168 0.1519
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0747 0.24
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0596 0.0614
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0596 0.1914
Giardia lamblia Nitric oxide synthase, inducible 0.0046 0.2686 1
Onchocerca volvulus 0.0017 0.0596 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0052 0.3112 0.3112
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0596 0.0596
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0596 0.1472
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0747 0.0568
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0596 0.0414
Loa Loa (eye worm) flavodoxin family protein 0.002 0.08 0.0622
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0747 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.002 0.08 0.1976
Plasmodium falciparum nitric oxide synthase, putative 0.0052 0.3112 1
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.4047 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0052 0.3112 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.002 0.08 0.257
Echinococcus granulosus cathepsin l1 0.0011 0.019 0.0195
Brugia malayi FAD binding domain containing protein 0.0052 0.3112 0.3112
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.4047 1
Plasmodium vivax hypothetical protein, conserved 0.002 0.08 0.257
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.002 0.08 0.1976
Plasmodium vivax vivapain-2 0.0017 0.0596 0.1914
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0596 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0052 0.3112 0.7689
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.002 0.08 0.257
Echinococcus multilocularis cysteine protease 0.0017 0.0596 0.0596
Entamoeba histolytica type A flavoprotein, putative 0.002 0.08 0.358
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Brugia malayi cathepsin L-like precursor 0.0011 0.019 0.019
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0596 0.1914
Entamoeba histolytica cysteine proteinase, putative 0.0011 0.019 0.0848

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.