Detailed information for compound 1364724

Basic information

Technical information
  • TDR Targets ID: 1364724
  • Name: 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-me thylphenyl)acetamide hydrochloride
  • MW: 317.234 | Formula: C13H14Cl2N2OS
  • H donors: 1 H acceptors: 2 LogP: 3.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCc1csc(n1)CC(=O)Nc1ccc(cc1)C.Cl
  • InChi: 1S/C13H13ClN2OS.ClH/c1-9-2-4-10(5-3-9)15-12(17)6-13-16-11(7-14)8-18-13;/h2-5,8H,6-7H2,1H3,(H,15,17);1H
  • InChiKey: HYEMUAGRLCUIDL-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(chloromethyl)thiazol-2-yl]-N-(4-methylphenyl)acetamide hydrochloride
  • 2-[4-(chloromethyl)-2-thiazolyl]-N-(4-methylphenyl)acetamide hydrochloride
  • 2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)ethanamide hydrochloride
  • MLS000388660
  • SMR000254833
  • T0520-7617

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843

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
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0532 0.5
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0053 0.0532 0.5
Onchocerca volvulus 0.0053 0.0532 0.0665
Leishmania major short chain dehydrogenase, putative 0.0053 0.0532 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0053 0.0532 1
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Onchocerca volvulus 0.0053 0.0532 0.0665
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Trypanosoma brucei short-chain dehydrogenase, putative 0.0053 0.0532 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0053 0.0532 1
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Echinococcus multilocularis oxidoreductase 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0532 0.5
Leishmania major 3-keto-dihydrosphingosine reductase 0.0053 0.0532 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0053 0.0532 1
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0053 0.0532 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Possible ketoacyl reductase 0.0053 0.0532 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0053 0.0532 0.5
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0053 0.0532 0.5
Brugia malayi Dehydrogenases, short chain protein 30 0.0053 0.0532 0.0824
Schistosoma mansoni retinal dehydrogenase 0.0053 0.0532 0.053
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0053 0.0532 0.5
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0053 0.0532 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0039 0.0036
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Echinococcus granulosus small conductance calcium activated potassium 0.0338 0.8998 0.8998
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Toxoplasma gondii 3-ketoacyl-CoA reductase, putative 0.0053 0.0532 1
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Brugia malayi hypothetical protein 0.0053 0.0532 0.0824
Leishmania major hypothetical protein, conserved 0.0053 0.0532 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0053 0.0532 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0053 0.0532 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0532 0.5
Onchocerca volvulus 0.0053 0.0532 0.0665
Mycobacterium tuberculosis Possible iron-regulated short-chain dehydrogenase/reductase 0.0053 0.0532 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Giardia lamblia Oxidoreductase, short chain dehydrogenase/reductase family 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Trypanosoma brucei short-chain dehydrogenase, putative 0.0053 0.0532 1
Entamoeba histolytica estradiol 17-beta-dehydrogenase, putative 0.0053 0.0532 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Trypanosoma brucei 3-keto-dihydrosphingosine reductase 0.0053 0.0532 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0039 0.0036
Leishmania major short chain dehydrogenase, putative 0.0053 0.0532 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0053 0.0532 0.5
Trypanosoma brucei 3-ketoacyl-CoA reductase, putative 0.0053 0.0532 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Leishmania major quinonoid dihydropteridine reductase 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0053 0.0532 0.5
Echinococcus multilocularis retinol dehydrogenase 13 0.0053 0.0532 0.053
Trypanosoma cruzi 3-ketoacyl-CoA reductase, putative 0.0053 0.0532 0.5
Onchocerca volvulus 0.0286 0.7458 1
Brugia malayi RNA, U transporter 1 0.0099 0.1908 0.2965
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0053 0.0532 0.053
Entamoeba histolytica short chain dehydrogenase family protein 0.0053 0.0532 1
Schistosoma mansoni carbonyl reductase 0.0053 0.0532 0.053
Leishmania major hypothetical protein, conserved 0.0053 0.0532 0.5
Leishmania major short chain dehydrogenase-like protein 0.0053 0.0532 0.5
Onchocerca volvulus 0.0053 0.0532 0.0665
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0532 0.0824
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0053 0.0532 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Trypanosoma brucei beta-ketoacyl-ACP reductase 3, putative 0.0053 0.0532 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable shortchain dehydrogenase 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0039 0.0688
Giardia lamblia Reductase, putative 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Echinococcus multilocularis snurportin 1 0.0372 1 1
Echinococcus granulosus steroid dehydrogenase 0.0053 0.0532 0.0532
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0532 0.5
Trypanosoma cruzi short-chain dehydrogenase, putative 0.0053 0.0532 0.5
Entamoeba histolytica oxidoreductase, short chain dehydrogenase/reductase family 0.0053 0.0532 1
Echinococcus multilocularis transient receptor potential cation channel 0.0053 0.0532 0.053
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0053 0.0532 0.0824
Schistosoma mansoni hypothetical protein 0.0338 0.8998 0.8998
Loa Loa (eye worm) hypothetical protein 0.0115 0.238 0.2378
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0053 0.0532 0.5
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Leishmania major hypothetical protein, conserved 0.0053 0.0532 0.5
Leishmania major dehydrogenase-like protein 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable short chain alcohol dehydrogenase/reductase 0.0053 0.0532 0.5
Brugia malayi Dehydrogenases, short chain protein 2 0.0053 0.0532 0.0824
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0053 0.0532 0.5
Echinococcus granulosus carbonyl reductase 1 0.0053 0.0532 0.0532
Echinococcus granulosus WW domain containing oxidoreductase 0.0053 0.0532 0.0532
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 1
Onchocerca volvulus 0.0053 0.0532 0.0665
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Onchocerca volvulus 0.0053 0.0532 0.0665
Echinococcus multilocularis conserved hypothetical protein 0.0053 0.0532 0.053
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0109 0.2196 0.2193
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Echinococcus multilocularis carbonyl reductase 1 0.0053 0.0532 0.053
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0053 0.0532 0.0665
Mycobacterium ulcerans short-chain type oxidoreductase 0.0053 0.0532 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0039 0.0036
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Mycobacterium ulcerans ketoacyl reductase 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0053 0.0532 0.5
Echinococcus multilocularis carbonyl reductase 1 0.0053 0.0532 0.053
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Trypanosoma cruzi quinonoid dihydropteridine reductase, putative 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0053 0.0532 0.5
Giardia lamblia Short-chain dehydrogenase, putative 0.0053 0.0532 0.5
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0053 0.0532 1
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0053 0.0532 0.053
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Mycobacterium ulcerans dehydrogenase 0.0053 0.0532 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0039 0.0039
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0532 0.5
Schistosoma mansoni hypothetical protein 0.0372 1 1
Schistosoma mansoni carbonyl reductase 0.0053 0.0532 0.053
Onchocerca volvulus 0.0053 0.0532 0.0665
Onchocerca volvulus 0.0053 0.0532 0.0665
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0053 0.0532 0.053
Echinococcus multilocularis carbonyl reductase 1 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0259 0.0259
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0259 0.0256
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6427 0.6426
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Trypanosoma cruzi NAD(P)-dependent oxidoreductase, putative 0.0053 0.0532 0.5
Echinococcus multilocularis steroid dehydrogenase 0.0053 0.0532 0.053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0039 0.0036
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Trichomonas vaginalis set domain proteins, putative 0.0286 0.7458 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0039 0.0036
Mycobacterium ulcerans short-chain dehydrogenase 0.0053 0.0532 0.5
Brugia malayi Retinol dehydrogenase 12 0.0053 0.0532 0.0824
Plasmodium falciparum steroid dehydrogenase, putative 0.0053 0.0532 1
Loa Loa (eye worm) hypothetical protein 0.0338 0.8998 0.8998
Mycobacterium tuberculosis Probable short-chain type oxidoreductase 0.0053 0.0532 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0338 0.8998 0.8998
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0259 0.0256
Onchocerca volvulus 0.0053 0.0532 0.0665
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0053 0.0532 0.0532
Mycobacterium ulcerans dehydrogenase/reductase 0.0053 0.0532 0.5
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Trypanosoma brucei beta-ketoacyl-ACP reductase 2 0.0053 0.0532 1
Brugia malayi oxidoreductase 0.0053 0.0532 0.0824
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Echinococcus multilocularis retinol dehydrogenase 11 0.0053 0.0532 0.053
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 1 homolog 0.0053 0.0532 0.0665
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0053 0.0532 0.053
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0532 0.5
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Trypanosoma cruzi short chain dehydrogenase, putative 0.0053 0.0532 0.5
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Leishmania major short chain dehydrogenase/reductase, putative 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0532 0.5
Schistosoma mansoni carbonyl reductase 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Leishmania major hypothetical protein, conserved 0.0053 0.0532 0.5
Mycobacterium leprae PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE 0.0053 0.0532 0.5
Brugia malayi dehydrogenases, short chain protein 9 0.0053 0.0532 0.0824
Loa Loa (eye worm) dehydrogenase 0.0053 0.0532 0.053
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Entamoeba histolytica hypothetical protein, conserved 0.0053 0.0532 1
Trypanosoma brucei beta-D-hydroxybutyrate dehydrogenase 0.0053 0.0532 1
Trypanosoma cruzi short chain dehydrogenase/reductase, putative 0.0053 0.0532 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0103 0.203 0.2028
Toxoplasma gondii oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 1
Trypanosoma brucei short-chain dehydrogenase, putative 0.0053 0.0532 1
Loa Loa (eye worm) dehydrogenase 0.0053 0.0532 0.053
Giardia lamblia Hypothetical protein 0.0053 0.0532 0.5
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0053 0.0532 0.053
Echinococcus granulosus hypothetical protein 0.0053 0.0532 0.0532
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Mycobacterium ulcerans short-chain dehydrogenase 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Echinococcus granulosus retinol dehydrogenase 11 0.0053 0.0532 0.0532
Toxoplasma gondii oxidoreductase, putative 0.0053 0.0532 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0053 0.0532 0.0532
Toxoplasma gondii carbonyl reductase 1, putative 0.0053 0.0532 1
Mycobacterium tuberculosis Possible fatty acyl-CoA reductase 0.0053 0.0532 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0532 0.5
Echinococcus granulosus oxidoreductase 0.0053 0.0532 0.0532
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0039 0.0036
Plasmodium falciparum oxidoreductase, short-chain dehydrogenase family, putative 0.0053 0.0532 1
Plasmodium vivax steroid dehydrogenase, putative 0.0053 0.0532 1
Mycobacterium ulcerans ketoacyl reductase 0.0053 0.0532 0.5
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0053 0.0532 0.053
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Trypanosoma cruzi short chain dehydrogenase, putative 0.0053 0.0532 0.5
Mycobacterium ulcerans ketoacyl reductase 0.0053 0.0532 0.5
Entamoeba histolytica 3-ketodihydrosphingosine reductase protein, putative 0.0053 0.0532 1
Entamoeba histolytica hypothetical protein, conserved 0.0053 0.0532 1
Brugia malayi Pre-SET motif family protein 0.0251 0.6427 1
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Echinococcus granulosus importin subunit beta 1 0.0035 0.0003 0.0003
Echinococcus granulosus carbonyl reductase 1 0.0053 0.0532 0.0532
Onchocerca volvulus 0.0053 0.0532 0.0665
Toxoplasma gondii oxidoreductase, putative 0.0053 0.0532 1
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Echinococcus granulosus hypothetical protein 0.0053 0.0532 0.0532
Onchocerca volvulus Sepiapterin reductase homolog 0.0053 0.0532 0.0665
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Brugia malayi dehydrogenases, short chain protein 2 0.0053 0.0532 0.0824
Onchocerca volvulus 0.0053 0.0532 0.0665
Mycobacterium tuberculosis Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1 0.0053 0.0532 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.0532 0.053
Echinococcus multilocularis steroid dehydrogenase 0.0053 0.0532 0.053
Entamoeba histolytica hypothetical protein 0.0053 0.0532 1
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Mycobacterium tuberculosis Probable dehydrogenase 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Trypanosoma brucei oxidoreductase-like protein 0.0053 0.0532 1
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0053 0.0532 0.0532
Echinococcus granulosus carbonyl reductase 1 0.0053 0.0532 0.0532
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053
Leishmania major oxidoreductase-like protein 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0053 0.0532 0.0824
Echinococcus granulosus carbonyl reductase 1 0.0053 0.0532 0.0532
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0532 0.5
Trypanosoma brucei short-chain dehydrogenase, putative 0.0053 0.0532 1
Brugia malayi hypothetical protein 0.0053 0.0532 0.0824
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Leishmania major hypothetical protein, conserved 0.0053 0.0532 0.5
Leishmania major quinonoid dihydropteridine reductase 0.0053 0.0532 0.5
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable short-chain dehydrogenase/reductase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Mycobacterium leprae Probable short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Onchocerca volvulus 0.0053 0.0532 0.0665
Leishmania major quinonoid dihydropteridine reductase 0.0053 0.0532 0.5
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0053 0.0532 0.053
Leishmania major pteridine reductase 1 0.0053 0.0532 0.5
Plasmodium vivax hypothetical protein, conserved 0.0053 0.0532 1
Brugia malayi hypothetical protein 0.0043 0.0259 0.0398
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0053 0.0532 0.5
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Decaprenylphosphoryl-D-2-keto erythro pentose reductase 0.0053 0.0532 0.5
Echinococcus granulosus retinol dehydrogenase 11 0.0053 0.0532 0.0532
Leishmania major quinonoid dihydropteridine reductase 0.0053 0.0532 0.5
Mycobacterium ulcerans dehydrogenase/decarboxylase protein 0.0053 0.0532 0.5
Mycobacterium ulcerans oxidoreductase 0.0053 0.0532 0.5
Mycobacterium ulcerans oxidoreductase 0.0053 0.0532 0.5
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0053 0.0532 0.5
Trypanosoma cruzi 3-keto-dihydrosphingosine reductase 0.0053 0.0532 0.5
Schistosoma mansoni steroid dehydrogenase 0.0053 0.0532 0.053
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0053 0.0532 1
Onchocerca volvulus 0.0053 0.0532 0.0665
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0039 0.0036
Trypanosoma cruzi beta-ketoacyl-ACP reductase 2, putative 0.0053 0.0532 0.5
Plasmodium vivax SET domain protein, putative 0.0036 0.0039 0.0688
Entamoeba histolytica short chain dehydrogenase family protein 0.0053 0.0532 1
Echinococcus multilocularis small conductance calcium activated potassium 0.0338 0.8998 0.8998
Trypanosoma cruzi hypothetical protein, conserved 0.0053 0.0532 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.0259 0.0256
Leishmania major short chain dehydrogenase/reductase, putative 0.0053 0.0532 0.5
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0053 0.0532 0.0824
Schistosoma mansoni calcium-activated potassium channel 0.0218 0.5441 0.5439
Mycobacterium ulcerans carveol-like dehydrogenase 0.0053 0.0532 0.5
Mycobacterium ulcerans short-chain dehydrogenase 0.0053 0.0532 0.5
Mycobacterium leprae ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE 0.0053 0.0532 0.5
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0053 0.0532 0.0532
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Schistosoma mansoni short chain dehydrogenase 0.0053 0.0532 0.053
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0053 0.0532 0.053
Mycobacterium leprae Probable oxidoreductase 0.0053 0.0532 0.5
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0053 0.0532 0.5
Echinococcus multilocularis retinol dehydrogenase 11 0.0053 0.0532 0.053
Brugia malayi Pre-SET motif family protein 0.0036 0.0039 0.0057
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Onchocerca volvulus Dehydrogenase\/reductase SDR family member 13 homolog 0.0053 0.0532 0.0665
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0053 0.0532 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0053 0.0532 0.053
Mycobacterium ulcerans short chain dehydrogenase 0.0053 0.0532 0.5
Mycobacterium ulcerans short-chain membrane-associated dehydrogenase 0.0053 0.0532 0.5
Loa Loa (eye worm) oxidoreductase 0.0053 0.0532 0.053

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 112.219 um PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)] ChEMBL. No reference
Potency (functional) 2.0596 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 8.9125 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
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] 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) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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