Detailed information for compound 1284537

Basic information

Technical information
  • TDR Targets ID: 1284537
  • Name: N-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-6-thio phen-2-yl-3,6-dihydro-1H-pyrimidine-5-carboxa mide
  • MW: 373.426 | Formula: C18H19N3O4S
  • H donors: 3 H acceptors: 2 LogP: 1.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)C1=C(C)NC(=O)NC1c1cccs1)OC
  • InChi: 1S/C18H19N3O4S/c1-10-15(16(21-18(23)19-10)14-5-4-8-26-14)17(22)20-12-9-11(24-2)6-7-13(12)25-3/h4-9,16H,1-3H3,(H,20,22)(H2,19,21,23)
  • InChiKey: KCKCAKZXUWPRBW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,5-dimethoxyphenyl)-4-methyl-2-oxo-6-(2-thienyl)-3,6-dihydro-1H-pyrimidine-5-carboxamide
  • N-(2,5-dimethoxyphenyl)-2-keto-4-methyl-6-(2-thienyl)-3,6-dihydro-1H-pyrimidine-5-carboxamide
  • BAS 03351161
  • AO-364/40760897
  • MLS000707262
  • SMR000288727

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable reductase 0.013 0.2594 0.8877
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0454 0.1973
Leishmania major glucose transporter, lmgt2 0.0034 0.0454 0.4437
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.0243 0.0201
Onchocerca volvulus 0.0015 0.0042 0.5
Plasmodium falciparum glutathione reductase 0.002 0.0141 0.0099
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0243 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.0243 0.2162
Onchocerca volvulus 0.0015 0.0042 0.5
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0141 0.106
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1927
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0445 0.0404
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0141 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0067 0.0206
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0141 0.0099
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0969 0.0931
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.0243 0.5182
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0492 0.2227
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Onchocerca volvulus 0.0015 0.0042 0.5
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0033 0.0429 0.1855
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1927
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0033 0.0429 0.9253
Loa Loa (eye worm) hypothetical protein 0.0033 0.0429 0.2017
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1927
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0444 0.1085
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0445 0.0617
Leishmania major protein kinase, putative 0.0033 0.0444 0.4335
Loa Loa (eye worm) hypothetical protein 0.0052 0.0859 0.4036
Schistosoma mansoni protein kinase 0.0033 0.0444 0.1085
Leishmania major trypanothione reductase 0.0057 0.0969 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0141 0.106
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0109 0.2128 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0969 0.4446
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Onchocerca volvulus 0.0015 0.0042 0.5
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0445 0.0404
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.0243 0.0201
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0141 0.0099
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0176 0.0641
Schistosoma mansoni hypothetical protein 0.0016 0.0067 0.0068
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0859 0.3967
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0444 0.1927
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0067 0.012
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0859 0.3967
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0141 0.0265
Onchocerca volvulus 0.0015 0.0042 0.5
Brugia malayi Sugar transporter family protein 0.0109 0.2128 1
Onchocerca volvulus 0.0015 0.0042 0.5
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0033 0.0429 0.1926
Giardia lamblia Prolyl-tRNA synthetase 0.0033 0.0429 1
Treponema pallidum NADH oxidase 0.002 0.0141 0.5
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.055 0.5473
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0033 0.0429 0.0972
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0199
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Plasmodium falciparum thioredoxin reductase 0.002 0.0141 0.0099
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0969 1
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0033 0.0429 0.1926
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0042 0.0087
Leishmania major glucose transporter, lmgt3 0.0034 0.0454 0.4437
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0454 0.4437
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0109 0.2128 1
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0141 0.4904
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0398 0.1707
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0067 0.012
Toxoplasma gondii facilitative glucose transporter GT1 0.0109 0.2128 0.3201
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.055 0.5473
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0454 0.4437
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0445 0.0404
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0445 0.0404
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0445 0.0404
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0444 0.4335
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0429 0.1044
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0445 0.0404
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0969 0.4446
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2917 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Brugia malayi Sugar transporter family protein 0.0015 0.0042 0.0087
Brugia malayi hypothetical protein 0.0015 0.0042 0.0087
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0141 0.4904
Brugia malayi Cam kinase protein 1 0.0033 0.0444 0.1997
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0033 0.0429 0.1044
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0033 0.0429 0.1855
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0969 0.3225
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0243 0.0541
Schistosoma mansoni glucose transport protein 0.0109 0.2128 0.5631
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 1
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.0243 0.0961
Loa Loa (eye worm) sugar transporter 0.0015 0.0042 0.0199
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0033 0.0429 0.1855
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.055 0.5473
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0141 0.0151
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Onchocerca volvulus 0.0015 0.0042 0.5
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0444 0.2088
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0398 0.1707
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.2594 0.8829
Entamoeba histolytica protein kinase, putative 0.0033 0.0444 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Onchocerca volvulus 0.0015 0.0042 0.5
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.0243 0.0961
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0067 0.012
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.0243 0.2162
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.2594 0.8877
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0454 0.4437
Schistosoma mansoni hypothetical protein 0.0036 0.0492 0.1215
Plasmodium vivax glutathione reductase, putative 0.0057 0.0969 0.0931
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0859 0.4036
Trypanosoma brucei trypanothione reductase 0.0057 0.0969 1
Toxoplasma gondii protein kinase, putative 0.0309 0.6557 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2917 1
Trypanosoma cruzi hexose transporter, putative 0.0019 0.0113 0.0757
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0141 0.0555
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0141 0.0471
Echinococcus granulosus General substrate transporter 0.0094 0.1787 0.8364
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0199
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2917 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0492 0.2314
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0969 0.4556
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Onchocerca volvulus 0.0015 0.0042 0.5
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0109 0.2128 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0444 0.2088
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0141 0.106
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0042 0.0087
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1927
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.2594 0.8877
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0038 0.055 0.5473
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0445 0.0404
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0444 0.1927
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0141 0.0099
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0141 0.106
Onchocerca volvulus 0.0015 0.0042 0.5
Loa Loa (eye worm) glutathione reductase 0.0057 0.0969 0.4556
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Plasmodium falciparum thioredoxin reductase 0.0057 0.0969 0.0931
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0141 0.0099
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0141 0.106
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0038 0.055 0.0779
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.0243 0.0296
Onchocerca volvulus 0.0015 0.0042 0.5
Schistosoma mansoni protein kinase 0.0033 0.0444 0.1085
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0141 0.0471
Loa Loa (eye worm) hypothetical protein 0.0033 0.0429 0.2017
Brugia malayi major facilitator superfamily protein 0.0015 0.0042 0.0087
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0141 0.106
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0454 0.4437
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0141 0.106
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0141 0.0471
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0454 0.1973
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0067 0.0317
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0109 0.2128 1
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0445 0.0617
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0109 0.2128 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0067 0.0206
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0454 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0034 0.0454 0.4437
Leishmania major glucose transporter, lmgt1 0.0034 0.0454 0.4437
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1927
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0141 0.0471
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0454 0.1973
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.0161 0.0413
Plasmodium vivax proline--tRNA ligase, putative 0.0038 0.055 0.051
Brugia malayi hypothetical protein 0.0015 0.0042 0.0087
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0454 0.1973
Trypanosoma brucei THT1 - hexose transporter, putative 0.0034 0.0454 0.4437
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.2594 0.8877
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Schistosoma mansoni hypothetical protein 0.0016 0.0067 0.0068
Onchocerca volvulus 0.0015 0.0042 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0141 1
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.0243 0.2162
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.0243 0.0961
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0177 0.3622 0.3595
Onchocerca volvulus 0.0015 0.0042 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0293 0.1375
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.2594 0.8877
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0042 0.0087
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0067 0.012
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Brugia malayi Sugar transporter family protein 0.0015 0.0042 0.0087
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1927
Schistosoma mansoni protein kinase 0.0033 0.0444 0.1085
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.2594 0.8877
Brugia malayi major facilitator superfamily protein 0.0015 0.0042 0.0087
Onchocerca volvulus 0.0015 0.0042 0.5
Plasmodium vivax CDK-related protein kinase 6, putative 0.0464 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Onchocerca volvulus Putative transporter 0.0015 0.0042 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0109 0.2128 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0067 0.012
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0038 0.055 0.5473
Schistosoma mansoni glucose transport protein 0.0109 0.2128 0.5631
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0141 0.0151
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.0243 1
Schistosoma mansoni hypothetical protein 0.0016 0.0067 0.0068
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0141 0.106
Loa Loa (eye worm) sugar transporter 0.0109 0.2128 1
Trichomonas vaginalis glucose transporter, putative 0.0034 0.0454 0.1973
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0444 0.1997
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0445 0.0404
Brugia malayi glutathione reductase 0.0057 0.0969 0.4494
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0445 0.0404
Plasmodium falciparum proline--tRNA ligase 0.0038 0.055 0.051
Echinococcus multilocularis General substrate transporter 0.0094 0.1787 0.8364
Brugia malayi lysyl-tRNA synthetase 0.0024 0.0243 0.104
Schistosoma mansoni hypothetical protein 0.0109 0.2128 0.5631
Trichomonas vaginalis sugar transporter, putative 0.0034 0.0454 0.1973
Onchocerca volvulus 0.0015 0.0042 0.5
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0141 0.106
Trypanosoma brucei glucose transporter 2A 0.0034 0.0454 0.4437
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0199
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0444 0.2088
Schistosoma mansoni hypothetical protein 0.0016 0.0067 0.0068
Trypanosoma cruzi hexose transporter 0.0034 0.0454 0.4437
Plasmodium falciparum glutathione reductase 0.0057 0.0969 0.0931
Toxoplasma gondii thioredoxin reductase 0.0057 0.0969 0.1423
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0177 0.3622 0.5495
Trypanosoma brucei glucose transporter, putative 0.0034 0.0454 0.4437
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0141 0.0342
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0141 0.2541
Brugia malayi hypothetical protein 0.0015 0.0042 0.0087
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.0243 0.0541
Brugia malayi Thioredoxin reductase 0.0057 0.0969 0.4494
Leishmania major glucose transporter/membrane transporter D2, putative 0.0034 0.0454 0.4437
Plasmodium falciparum protein kinase 7 0.0309 0.6557 0.6542
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0141 0.106
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0444 0.1927
Trypanosoma brucei glucose transporter 1E 0.0034 0.0454 0.4437
Plasmodium falciparum mitogen-activated protein kinase 2 0.0177 0.3622 0.3595
Plasmodium falciparum hexose transporter 0.0109 0.2128 0.2094
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2917 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0141 0.4904
Plasmodium vivax hexose transporter 0.0109 0.2128 0.2094
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.0161 0.0413
Loa Loa (eye worm) hypothetical protein 0.0024 0.0243 0.1141
Entamoeba histolytica protein kinase, putative 0.0033 0.0444 1
Echinococcus granulosus GPCR family 2 0.0016 0.0067 0.012
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.0243 0.0308
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0445 0.0617
Onchocerca volvulus 0.0015 0.0042 0.5
Schistosoma mansoni glucose transport protein 0.0109 0.2128 0.5631
Loa Loa (eye worm) hypothetical protein 0.0016 0.0067 0.0317
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.0243 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 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) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) 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

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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