Detailed information for compound 1343739

Basic information

Technical information
  • TDR Targets ID: 1343739
  • Name: ethyl 4-(propanoylamino)-3-prop-2-enyl-2-sulf anylidene-1,3-thiazole-5-carboxylate
  • MW: 300.397 | Formula: C12H16N2O3S2
  • H donors: 1 H acceptors: 2 LogP: 2.52 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1sc(=S)n(c1NC(=O)CC)CC=C
  • InChi: 1S/C12H16N2O3S2/c1-4-7-14-10(13-8(15)5-2)9(19-12(14)18)11(16)17-6-3/h4H,1,5-7H2,2-3H3,(H,13,15)
  • InChiKey: AMOPNKGGBHSYQV-UHFFFAOYSA-N  

Network

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Synonyms

  • ethyl 3-allyl-4-(propanoylamino)-2-thioxo-thiazole-5-carboxylate
  • 3-allyl-4-(1-oxopropylamino)-2-thioxo-5-thiazolecarboxylic acid ethyl ester
  • 3-allyl-4-propionamido-2-thioxo-thiazole-5-carboxylic acid ethyl ester
  • ZINC03207352
  • MLS000536716
  • SMR000155548
  • T0504-9168

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0005 0.5 0.5
Leishmania major pteridine reductase 1 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0005 0.5 0.5
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Mycobacterium ulcerans dehydrogenase/reductase 0.0005 0.5 0.5
Trichomonas vaginalis hydroxyacyl dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0005 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, putative 0.0005 0.5 0.5
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0005 0.5 0.5
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase, putative 0.0005 0.5 0.5
Brugia malayi hypothetical protein 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0005 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0005 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Toxoplasma gondii carbonyl reductase 1, putative 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Echinococcus granulosus steroid dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 2 0.0005 0.5 0.5
Brugia malayi hypothetical protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium leprae Probable oxidoreductase 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Loa Loa (eye worm) dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0005 0.5 0.5
Entamoeba histolytica hypothetical protein 0.0005 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Echinococcus granulosus oxidoreductase 0.0005 0.5 0.5
Giardia lamblia Hypothetical protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0005 0.5 0.5
Trichomonas vaginalis steroid dehydrogenase, putative 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0005 0.5 0.5
Plasmodium falciparum steroid dehydrogenase, putative 0.0005 0.5 0.5
Brugia malayi Retinol dehydrogenase 12 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenases/reductase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Leishmania major oxidoreductase-like protein 0.0005 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0005 0.5 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0005 0.5 0.5
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0005 0.5 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Schistosoma mansoni retinal dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Mycobacterium ulcerans oxidoreductase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0005 0.5 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Leishmania major dehydrogenase-like protein 0.0005 0.5 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0005 0.5 0.5
Mycobacterium ulcerans carveol-like dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0005 0.5 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Entamoeba histolytica short chain dehydrogenase family protein 0.0005 0.5 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0005 0.5 0.5
Brugia malayi oxidoreductase 0.0005 0.5 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0005 0.5 0.5
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0005 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0005 0.5 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0005 0.5 0.5
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0005 0.5 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0005 0.5 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Plasmodium vivax steroid dehydrogenase, putative 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0005 0.5 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Onchocerca volvulus Sepiapterin reductase homolog 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0005 0.5 0.5
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Echinococcus multilocularis conserved hypothetical protein 0.0005 0.5 0.5
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, putative 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Echinococcus granulosus hypothetical protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase-like protein 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0005 0.5 0.5
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0005 0.5 0.5
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0005 0.5 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0005 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0.5 0.5
Echinococcus granulosus carbonyl reductase 1 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.5 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0005 0.5 0.5
Schistosoma mansoni carbonyl reductase 0.0005 0.5 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0005 0.5 0.5
Echinococcus granulosus hypothetical protein 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Giardia lamblia Reductase, putative 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type oxidoreductase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0005 0.5 0.5
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0005 0.5 0.5
Schistosoma mansoni steroid dehydrogenase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0005 0.5 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0005 0.5 0.5
Echinococcus granulosus WW domain containing oxidoreductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0005 0.5 0.5
Leishmania major hypothetical protein, conserved 0.0005 0.5 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0005 0.5 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium ulcerans dehydrogenase 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0005 0.5 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0005 0.5 0.5
Schistosoma mansoni short chain dehydrogenase 0.0005 0.5 0.5
Loa Loa (eye worm) oxidoreductase 0.0005 0.5 0.5
Leishmania major short chain dehydrogenase, putative 0.0005 0.5 0.5
Trichomonas vaginalis short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0005 0.5 0.5
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0005 0.5 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0005 0.5 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0005 0.5 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0005 0.5 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0005 0.5 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0005 0.5 0.5
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0005 0.5 0.5
Onchocerca volvulus 0.0005 0.5 0.5
Plasmodium vivax hypothetical protein, conserved 0.0005 0.5 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0005 0.5 0.5
Echinococcus multilocularis oxidoreductase 0.0005 0.5 0.5
Trichomonas vaginalis estradiol 17 beta-dehydrogenase, putative 0.0005 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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