Detailed information for compound 1458504

Basic information

Technical information
  • TDR Targets ID: 1458504
  • Name: N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsu lfanylbenzamide
  • MW: 337.439 | Formula: C19H19N3OS
  • H donors: 1 H acceptors: 2 LogP: 3.36 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CSc1ccccc1C(=O)NC(c1ccc(cc1)n1cncc1)C
  • InChi: 1S/C19H19N3OS/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23)
  • InChiKey: ZZJDLMBKELLMPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methylsulfanyl-benzamide
  • N-[1-[4-(1-imidazolyl)phenyl]ethyl]-2-(methylthio)benzamide
  • N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(methylthio)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0794 0.2696
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0794 0.184
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0794 0.1011
Schistosoma mansoni cpg binding protein 0.0037 0.2263 0.2263
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0497 0.1714
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.703 0.8955
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1279 0.4411
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Brugia malayi CXXC zinc finger family protein 0.0035 0.2124 0.7323
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.703 0.8955
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.785 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1279 0.4411
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0794 0.2736
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1279 0.4411
Plasmodium falciparum thioredoxin reductase 0.0016 0.0794 0.2736
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0284 0.0966
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0794 0.184
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0794 0.2736
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1279 1
Plasmodium falciparum glutathione reductase 0.0016 0.0794 0.2736
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.29 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0284 0.0284
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0434 0.1473
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0794 0.2736
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0284 0.0966
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.785 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0231 0.1806
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0794 0.2696
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1279 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1279 0.4411
Leishmania major trypanothione reductase 0.0046 0.29 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0231 0.1806
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Trichomonas vaginalis helicase, putative 0.0008 0.0231 0.1806
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1279 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1279 0.1629
Onchocerca volvulus 0.0035 0.2124 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0231 0.1806
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0434 0.1473
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0231 0.1806
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0794 0.2736
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0794 0.6204
Echinococcus granulosus cpg binding protein 0.0037 0.2263 0.769
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0231 0.1806
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1279 0.4346
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0231 0.1806
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0794 0.2736
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0284 0.0966
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.2943 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.29 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2124 0.7323
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0794 0.2736
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0424 0.1462
Schistosoma mansoni ap endonuclease 0.0023 0.1279 0.1279
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0231 0.1806
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0497 0.1714
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0794 0.2736
Plasmodium vivax glutathione reductase, putative 0.0046 0.29 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0284 0.0966
Brugia malayi Thioredoxin reductase 0.0046 0.29 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.785 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0794 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1279 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1279 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.703 0.8955
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0794 0.0794
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0794 0.2736
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1279 0.4411
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Trypanosoma brucei trypanothione reductase 0.0046 0.29 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1279 0.4346
Plasmodium falciparum thioredoxin reductase 0.0046 0.29 1
Schistosoma mansoni cpg binding protein 0.0037 0.2263 0.2263
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.4868 0.4868
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0231 0.1806
Loa Loa (eye worm) glutathione reductase 0.0046 0.29 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.703 0.8955
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0794 0.6204
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0434 0.1495
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1279 0.4411
Toxoplasma gondii exonuclease III APE 0.0023 0.1279 0.2966
Treponema pallidum NADH oxidase 0.0016 0.0794 0.6204
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0794 0.2736
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0794 0.2736
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.785 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.703 0.8955
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0794 0.6204
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1279 0.4411
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Plasmodium falciparum glutathione reductase 0.0046 0.29 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0794 0.2736
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.29 1
Brugia malayi glutathione reductase 0.0046 0.29 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0794 0.2736
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0794 0.2736
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0794 0.2736
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1279 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0027 0.0027
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1279 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Echinococcus multilocularis cpg binding protein 0.0037 0.2263 0.769
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0231 0.1806
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1279 0.4411
Mycobacterium tuberculosis Probable reductase 0.0104 0.703 0.8955
Toxoplasma gondii thioredoxin reductase 0.0046 0.29 0.6724
Schistosoma mansoni ap endonuclease 0.0023 0.1279 0.1279
Schistosoma mansoni cpg binding protein 0.0035 0.2124 0.2124
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.4313 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.29 0.3694
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.2943 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0794 0.2736

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 29.09511 uM PUBCHEM_BIOASSAY: HTS TR-FRET-based dose response confirmatory assay for Siah-1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the binding of Siah-1 and a peptide ligand via a fluorescence polarization assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1826, AID2127, AID2141] ChEMBL. No reference
IC50 (binding) > 200 uM PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory screen for the Siah-1 primary assay utilizing an alternative fluorophore, fluorescein-labeled plectin. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1817, AID1826] ChEMBL. No reference
Potency (functional) 0.1889 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 5.6234 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) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.
 
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.