Detailed information for compound 1272788

Basic information

Technical information
  • TDR Targets ID: 1272788
  • Name: 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)triaz ole-4-carboxamide
  • MW: 307.35 | Formula: C17H17N5O
  • H donors: 1 H acceptors: 4 LogP: 1.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(n1nnc(c1)C(=O)NCc1cccnc1)c1ccccc1
  • InChi: 1S/C17H17N5O/c1-13(15-7-3-2-4-8-15)22-12-16(20-21-22)17(23)19-11-14-6-5-9-18-10-14/h2-10,12-13H,11H2,1H3,(H,19,23)
  • InChiKey: FINMIPDMUGRDNJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1-phenylethyl)-N-(3-pyridylmethyl)triazole-4-carboxamide
  • 1-(1-phenylethyl)-N-(3-pyridylmethyl)-4-triazolecarboxamide
  • 1-(1-phenylethyl)-N-(pyridin-3-ylmethyl)-1,2,3-triazole-4-carboxamide
  • 1-(1-Phenyl-ethyl)-1H-[1,2,3]triazole-4-carboxylic acid (pyridin-3-ylmethyl)-amide
  • MLS000076086
  • ASN 09170090
  • SMR000000648

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase 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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase 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
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum glutathione reductase 0.0033 0.0581 0.134
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0158 0.0158
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0025 0.0277 0.0403
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0101 0.2881 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.2959 0.4305
Echinococcus multilocularis L aminoadipate semialdehyde 0.0087 0.2407 0.4383
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0502 0.0502
Echinococcus multilocularis chromobox protein 1 0.0073 0.1925 0.3506
Plasmodium falciparum glycogen synthase kinase 3 0.0101 0.2881 0.6639
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.6874 1
Echinococcus granulosus chromobox protein 1 0.0073 0.1925 0.3506
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.434 0.5308
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0158 0.023
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0158 0.023
Trichomonas vaginalis CAMK family protein kinase 0.005 0.114 0.1092
Trichomonas vaginalis mercuric reductase, putative 0.0033 0.0581 0.0356
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0143 0.434 1
Echinococcus multilocularis chromobox protein 1 0.0073 0.1925 0.3506
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0033 0.0581 0.0826
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0311 0.0442
Entamoeba histolytica protein kinase domain containing protein 0.0101 0.2881 0.6415
Plasmodium falciparum lysophospholipase, putative 0.0143 0.434 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0581 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0158 0.0158
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0158 0.0287
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Trichomonas vaginalis glutathione reductase, putative 0.0033 0.0581 0.0356
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Entamoeba histolytica hypothetical protein 0.0038 0.0721 0.1106
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0158 0.0158
Brugia malayi nuclear hormone receptor 0.0021 0.0158 0.023
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0937 0.1006
Plasmodium vivax thioredoxin reductase, putative 0.0097 0.2742 0.6319
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0033 0.0581 0.134
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0311 0.0442
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.091 0.091
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0721 0.1313
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0158 0.0158
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0158 0.0158
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.2844 0.5179
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0158 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0158 0.023
Schistosoma mansoni chromobox protein 0.0073 0.1925 0.1925
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0831 0.0685
Trypanosoma cruzi trypanothione reductase, putative 0.0097 0.2742 0.3896
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0581 0.0826
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0502 0.0502
Echinococcus granulosus fatty acid amide hydrolase 1 0.0103 0.2959 0.5388
Echinococcus multilocularis protein kinase shaggy 0.0101 0.2881 0.5247
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0158 0.0287
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0158 0.023
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.434 0.5308
Schistosoma mansoni serine/threonine protein kinase 0.01 0.2844 0.2844
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0033 0.0581 0.1059
Brugia malayi MH2 domain containing protein 0.0125 0.3702 0.5386
Schistosoma mansoni amidase 0.0103 0.2959 0.2959
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0158 0.023
Schistosoma mansoni kinase 0.0051 0.1184 0.1184
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0158 0.0158
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0158 0.023
Schistosoma mansoni coup transcription factor 0.0021 0.0158 0.0158
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.434 0.5308
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.022 0.6979 0.8924
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0158 0.0287
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0024 0.0271 0.0347
Trypanosoma brucei monoglyceride lipase, putative 0.0143 0.434 0.6166
Trypanosoma brucei protein kinase, putative 0.0101 0.2881 0.4093
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0033 0.0581 0.2018
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0502 0.0915
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2844 0.3338
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.2844 0.4041
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.2844 0.4041
Entamoeba histolytica hypothetical protein 0.0038 0.0721 0.1106
Echinococcus granulosus chromobox protein 1 0.0073 0.1925 0.3506
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.2844 0.4138
Plasmodium falciparum lysophospholipase, putative 0.0143 0.434 1
Trypanosoma brucei monoglyceride lipase, putative 0.0143 0.434 0.6166
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0033 0.0581 0.0743
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0937 0.0825
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0271 0.0625
Giardia lamblia Kinase, CMGC GSK 0.0101 0.2881 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0033 0.0581 0.0581
Echinococcus multilocularis thioredoxin glutathione reductase 0.0097 0.276 0.5027
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0721 0.1313
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0033 0.0581 0.0826
Loa Loa (eye worm) hypothetical protein 0.0032 0.053 0.077
Leishmania major phosphopantetheinyl transferase-like protein 0.0024 0.0271 0.0385
Brugia malayi hypothetical protein 0.0038 0.0721 0.1049
Entamoeba histolytica protein kinase, putative 0.0101 0.2881 0.6415
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0033 0.0581 0.0846
Mycobacterium tuberculosis Probable oxidoreductase 0.0245 0.7821 1
Toxoplasma gondii thioredoxin reductase 0.0097 0.2742 0.9518
Echinococcus granulosus fatty acid amide hydrolase 1 0.0103 0.2959 0.5388
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0158 0.0287
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0245 0.7821 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0158 0.0287
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0158 0.0287
Plasmodium vivax PST-A protein 0.0143 0.434 1
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0158 0.0287
Plasmodium falciparum esterase, putative 0.0143 0.434 1
Loa Loa (eye worm) glutathione reductase 0.0097 0.2742 0.399
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0033 0.0581 0.134
Brugia malayi chromobox protein homolog 3 0.0041 0.0831 0.1209
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0158 0.023
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0502 0.0915
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0026 0.0311 0.0398
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0581 0.0826
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0158 0.023
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0158 0.023
Mycobacterium tuberculosis Probable reductase 0.022 0.6979 0.8924
Loa Loa (eye worm) thioredoxin reductase 0.0097 0.2742 0.399
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0033 0.0581 1
Brugia malayi Heterochromatin protein 1 0.0073 0.1925 0.2801
Entamoeba histolytica hypothetical protein 0.0038 0.0721 0.1106
Trichomonas vaginalis CAMK family protein kinase 0.005 0.114 0.1092
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1925 0.2127
Treponema pallidum NADH oxidase 0.0033 0.0581 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0158 0.0158
Brugia malayi nuclear receptor NHR-88 0.0021 0.0158 0.023
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0025 0.0277 0.0403
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0033 0.0581 0.0763
Brugia malayi ecdysteroid receptor 0.0021 0.0158 0.023
Mycobacterium ulcerans lysophospholipase 0.0143 0.434 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0158 0.023
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0033 0.0581 0.0826
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Giardia lamblia Kinase, PLK 0.01 0.2844 0.984
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0158 0.023
Entamoeba histolytica protein kinase domain containing protein 0.0101 0.2881 0.6415
Onchocerca volvulus 0.0247 0.7901 1
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0158 0.0158
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0033 0.0581 1
Leishmania major trypanothione reductase 0.0097 0.2742 0.3896
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0158 0.023
Echinococcus granulosus citrate lyase subunit beta protein 0.0026 0.0311 0.0566
Loa Loa (eye worm) transcription factor SMAD2 0.0125 0.3702 0.5386
Onchocerca volvulus 0.0101 0.2881 0.3517
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0158 0.0158
Trypanosoma cruzi trypanothione reductase, putative 0.0033 0.0581 0.0826
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0101 0.2881 0.4093
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Trypanosoma brucei hypothetical protein, conserved 0.0024 0.0271 0.0385
Leishmania major monoglyceride lipase, putative 0.0143 0.434 0.6166
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0158 0.023
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0033 0.0581 0.0763
Onchocerca volvulus 0.0032 0.053 0.048
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0101 0.2881 0.4192
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0033 0.0581 0.0826
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0158 0.0287
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0024 0.0271 0.0625
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2844 0.3338
Mycobacterium ulcerans hypothetical protein 0.0143 0.434 1
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0158 0.023
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0502 0.0915
Mycobacterium tuberculosis Possible lysophospholipase 0.0143 0.434 0.5549
Plasmodium vivax glycogen synthase kinase 3, putative 0.0101 0.2881 0.6639
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Trichomonas vaginalis chromobox protein, putative 0.0073 0.1925 0.2127
Echinococcus granulosus geminin 0.0177 0.5492 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0158 0.023
Schistosoma mansoni chromobox protein 0.0073 0.1925 0.1925
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0087 0.2407 0.2407
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0103 0.2959 0.5388
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.022 0.6979 0.8924
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0245 0.7821 1
Mycobacterium tuberculosis Conserved protein 0.0026 0.0311 0.0398
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0158 0.0287
Leishmania major hypothetical protein, conserved 0.0222 0.7039 1
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0831 0.0685
Onchocerca volvulus Serine\/threonine kinase homolog 0.01 0.2844 0.3469
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0158 0.023
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0101 0.2881 0.5247
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0033 0.0581 0.0826
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0311 0.0098
Toxoplasma gondii NADPH-glutathione reductase 0.0033 0.0581 0.2018
Plasmodium vivax SET domain protein, putative 0.0031 0.0502 0.1157
Mycobacterium tuberculosis Putative ferredoxin reductase 0.022 0.6979 0.8924
Onchocerca volvulus 0.0087 0.2407 0.2904
Trypanosoma brucei polo-like protein kinase 0.01 0.2844 0.4041
Loa Loa (eye worm) hypothetical protein 0.0087 0.2407 0.3502
Entamoeba histolytica hypothetical protein 0.0038 0.0721 0.1106
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0097 0.2742 0.3506
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0158 0.023
Trypanosoma brucei trypanothione reductase 0.0097 0.2742 0.3896
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0024 0.0271 0.0941
Plasmodium falciparum thioredoxin reductase 0.0097 0.2742 0.6319
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0311 0.0442
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.2844 0.4041
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0158 0.0287
Brugia malayi Pre-SET motif family protein 0.0217 0.6874 1
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0937 0.0825
Loa Loa (eye worm) hypothetical protein 0.0041 0.0831 0.1209
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0158 0.0287
Mycobacterium ulcerans hypothetical protein 0.0026 0.0311 0.0098
Brugia malayi intracellular kinase 0.0101 0.2881 0.4192
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0311 0.0098
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0424 0.0148
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0026 0.0311 0.0098
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.022 0.6979 0.8885
Brugia malayi Thioredoxin reductase 0.0097 0.2742 0.399
Schistosoma mansoni hypothetical protein 0.0177 0.5492 0.5492
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0101 0.2881 0.4093
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2844 0.3338
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0143 0.434 0.5389
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0158 0.023
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0101 0.2881 0.2881
Giardia lamblia Kinase, CMGC GSK 0.0101 0.2881 1
Trichomonas vaginalis set domain proteins, putative 0.0247 0.7901 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2844 0.3338
Echinococcus granulosus serine:threonine protein kinase PLK1 0.01 0.2844 0.5179
Brugia malayi glutathione reductase 0.0097 0.2742 0.399
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0721 0.0721
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0033 0.0581 0.134
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0158 0.023
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0158 0.023
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0033 0.0581 0.0826
Plasmodium vivax glutathione reductase, putative 0.0097 0.2742 0.6319
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0158 0.023
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.2844 0.4138
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0033 0.0581 0.134
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.022 0.6979 0.8924
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.1925 0.2801
Echinococcus granulosus thioredoxin glutathione reductase 0.0097 0.276 0.5027
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0831 0.087
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0158 0.0158
Trypanosoma cruzi hypothetical protein, conserved 0.0222 0.7039 1
Echinococcus granulosus protein kinase shaggy 0.0101 0.2881 0.5247
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0158 0.0287
Plasmodium falciparum lysophospholipase, putative 0.0143 0.434 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0245 0.7821 1
Mycobacterium ulcerans hypothetical protein 0.0026 0.0311 0.0098
Schistosoma mansoni hypothetical protein 0.0038 0.0721 0.0721
Trichomonas vaginalis conserved hypothetical protein 0.0143 0.434 0.5308
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0158 0.023
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0158 0.023
Echinococcus multilocularis citrate lyase subunit beta protein 0.0026 0.0311 0.0566
Schistosoma mansoni hypothetical protein 0.0177 0.5492 0.5492
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0158 0.0287
Mycobacterium tuberculosis Probable dehydrogenase 0.022 0.6979 0.8924
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.2881 0.3386
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0103 0.2959 0.5388
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0143 0.434 0.5308
Plasmodium falciparum thioredoxin reductase 0.0033 0.0581 0.134
Entamoeba histolytica serine/threonine protein kinase, putative 0.01 0.2844 0.6325
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0101 0.2881 0.5247
Brugia malayi amidase 0.0103 0.2959 0.4305
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.434 0.5308
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2844 0.3338
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0158 0.0158
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0033 0.0581 0.1059
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0158 0.023
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2844 0.3338
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0024 0.0271 0.0941
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0158 0.0287
Trypanosoma cruzi hypothetical protein, conserved 0.0222 0.7039 1
Trichomonas vaginalis conserved hypothetical protein 0.0143 0.434 0.5308
Plasmodium falciparum glutathione reductase 0.0097 0.2742 0.6319
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0463 0.0843
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0033 0.0581 0.0826
Echinococcus multilocularis geminin 0.0177 0.5492 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.3702 0.5386
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0033 0.0581 0.0763
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0424 0.0148
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0101 0.2881 0.4192
Loa Loa (eye worm) hypothetical protein 0.0031 0.0502 0.0731
Schistosoma mansoni fatty-acid amide hydrolase 0.0103 0.2959 0.2959
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0087 0.2407 0.3502
Trichomonas vaginalis CMGC family protein kinase 0.0101 0.2881 0.3386
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0502 0.1743
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0158 0.0287
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0158 0.0287
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0502 0.0502
Onchocerca volvulus 0.0043 0.091 0.0971
Trypanosoma brucei hypothetical protein, conserved 0.0222 0.7039 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.2844 0.3338
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0158 0.0158
Trypanosoma cruzi monoglyceride lipase, putative 0.0143 0.434 0.6166
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0143 0.434 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0158 0.023
Brugia malayi Pre-SET motif family protein 0.0031 0.0502 0.0731
Echinococcus granulosus L aminoadipate semialdehyde 0.0087 0.2407 0.4383
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0158 0.0287
Brugia malayi steroid hormone receptor 0.0021 0.0158 0.023
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0143 0.434 0.5308

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 17.7828 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) 29.9349 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) 56.2341 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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