Detailed information for compound 1347206

Basic information

Technical information
  • TDR Targets ID: 1347206
  • Name: methyl 4-[[4-amino-1-methyl-2,6-dioxo-3-(phen ylmethyl)pyrimidin-5-yl]-morpholin-4-ylmethyl ]benzoate
  • MW: 464.514 | Formula: C25H28N4O5
  • H donors: 1 H acceptors: 3 LogP: 1.43 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1ccc(cc1)C(c1c(N)n(Cc2ccccc2)c(=O)n(c1=O)C)N1CCOCC1
  • InChi: 1S/C25H28N4O5/c1-27-23(30)20(22(26)29(25(27)32)16-17-6-4-3-5-7-17)21(28-12-14-34-15-13-28)18-8-10-19(11-9-18)24(31)33-2/h3-11,21H,12-16,26H2,1-2H3
  • InChiKey: BGKUSLFKKXJYIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 4-[[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)pyrimidin-5-yl]-morpholino-methyl]benzoate
  • 4-[[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)-5-pyrimidinyl]-morpholinomethyl]benzoic acid methyl ester
  • 4-[[6-amino-1-(benzyl)-2,4-diketo-3-methyl-pyrimidin-5-yl]-morpholino-methyl]benzoic acid methyl ester
  • methyl 4-[[4-amino-1-methyl-2,6-dioxo-3-(phenylmethyl)pyrimidin-5-yl]-morpholin-4-yl-methyl]benzoate
  • SMR000068204
  • T5338603
  • MLS000879938
  • MLS000053805

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
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
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis 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
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi thioredoxin 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) 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
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii thioredoxin 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
Brugia malayi Thioredoxin 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
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) thioredoxin 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 Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi glutathione 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei trypanothione 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
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
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 congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani 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 483 aa 23.0 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
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 22.5 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
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 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
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 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major pyruvate kinase 0.004 0.0286 0.5593
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.0286 0.164
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0077 0.0077
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0599 0.0534
Brugia malayi jmjC domain containing protein 0.0019 0.0069 0.0577
Entamoeba histolytica kinesin, putative 0.0129 0.1191 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0077 0.0222
Schistosoma mansoni pyruvate kinase 0.004 0.0286 0.0252
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0457 0.0391
Echinococcus multilocularis pyruvate kinase 0.0021 0.0086 0.0018
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0077 0.0077
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0286 0.5593
Plasmodium vivax pyruvate kinase, putative 0.004 0.0286 0.1936
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0077 0.0222
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0024 0.0201
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0286 0.1936
Brugia malayi Thioredoxin reductase 0.0057 0.0457 0.3839
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0262 0.2203
Echinococcus multilocularis pyruvate kinase 0.0021 0.0086 0.0018
Schistosoma mansoni pyruvate kinase 0.004 0.0286 0.0252
Schistosoma mansoni pyruvate kinase 0.0021 0.0086 0.0021
Brugia malayi Kinesin motor domain containing protein 0.0129 0.1191 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.1202 0.8609
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0077 0.0077
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0298 0.0266
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0286 0.5593
Echinococcus granulosus pyruvate kinase 0.004 0.0286 0.0219
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0262 0.0195
Trypanosoma brucei trypanothione reductase 0.0057 0.0457 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0077 0.0222
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0077 0.0222
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0237 0.7649
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0457 1
Toxoplasma gondii pyruvate kinase PyKII 0.0021 0.0086 0.0158
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0077 0.0222
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1202 0.8837
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0077 0.001
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0077 0.0222
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1202 0.8837
Plasmodium falciparum glutathione reductase 0.002 0.0077 0.0077
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0077 0.0222
Trypanosoma brucei pyruvate kinase 1 0.004 0.0286 0.5593
Loa Loa (eye worm) hypothetical protein 0.0033 0.0211 0.1271
Brugia malayi jmjC domain containing protein 0.0071 0.0599 0.5029
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0286 0.2401
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0077 0.0077
Leishmania major trypanothione reductase 0.0057 0.0457 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0077 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0077 0.0077
Echinococcus multilocularis pyruvate kinase 0.004 0.0286 0.0219
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0286 0.2401
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0599 0.0534
Plasmodium vivax pyruvate kinase 2, putative 0.0021 0.0086 0.0158
Plasmodium vivax kinesin-5 0.0129 0.1191 1
Echinococcus granulosus pyruvate kinase 0.0021 0.0086 0.0018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0457 0.0391
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0077 0.0222
Loa Loa (eye worm) pyruvate kinase 0.004 0.0286 0.1936
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0262 0.0195
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1202 0.8837
Giardia lamblia Pyruvate kinase 0.0021 0.0086 0.0081
Loa Loa (eye worm) hypothetical protein 0.0028 0.0162 0.083
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Schistosoma mansoni hypothetical protein 0.0865 0.8685 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1202 0.8837
Chlamydia trachomatis pyruvate kinase 0.004 0.0286 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.135 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0129 0.1191 1
Treponema pallidum NADH oxidase 0.002 0.0077 0.5
Brugia malayi jmjC domain containing protein 0.0019 0.0069 0.0577
Mycobacterium tuberculosis Probable reductase 0.013 0.1202 0.8837
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0077 0.0077
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0286 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.135 1
Brugia malayi glutathione reductase 0.0057 0.0457 0.3839
Loa Loa (eye worm) glutathione reductase 0.0057 0.0457 0.3461
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0162 0.083
Echinococcus multilocularis pyruvate kinase 0.0021 0.0086 0.0018
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0599 0.0615
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0457 0.2985
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.135 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0457 0.3461
Loa Loa (eye worm) hypothetical protein 0.004 0.0286 0.1936
Echinococcus multilocularis pyruvate kinase 0.0032 0.02 0.0132
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0599 0.0534
Brugia malayi jmjC domain containing protein 0.0019 0.0069 0.0577
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0262 0.1726
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0286 0.5
Toxoplasma gondii kinesin motor domain-containing protein 0.0129 0.1191 1
Plasmodium falciparum pyruvate kinase 2 0.0021 0.0086 0.0158
Giardia lamblia Kinesin-5 0.0129 0.1191 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0024 0.0201
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1202 0.8837
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0599 0.0534
Echinococcus granulosus pyruvate kinase 0.0021 0.0086 0.0018
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0286 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0599 0.0615
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0077 0.0649
Brugia malayi jmjC domain containing protein 0.0019 0.0069 0.0577
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.135 1
Giardia lamblia Pyruvate kinase 0.004 0.0286 0.1874
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0286 0.5
Loa Loa (eye worm) pyruvate kinase 0.004 0.0286 0.1936
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0077 0.5
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0286 1
Echinococcus multilocularis pyruvate kinase 0.004 0.0286 0.0219
Brugia malayi jmjC domain containing protein 0.0071 0.0599 0.5029
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0298 0.0266
Schistosoma mansoni kinesin eg-5 0.0129 0.1191 0.1303
Plasmodium falciparum glutathione reductase 0.0057 0.0457 0.3461
Mycobacterium ulcerans pyruvate kinase 0.004 0.0286 1
Echinococcus granulosus pyruvate kinase 0.004 0.0286 0.0219
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0457 0.3461
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0599 0.4724
Plasmodium vivax glutathione reductase, putative 0.0057 0.0457 0.3461
Plasmodium falciparum kinesin-5 0.0129 0.1191 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.0286 0.1936
Echinococcus multilocularis kinesin family 1 0.0994 1 1
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0599 0.0615
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0237 0.7649
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0077 0.0009
Echinococcus granulosus pyruvate kinase 0.0021 0.0086 0.0018
Leishmania major pyruvate kinase 0.004 0.0286 0.5593
Plasmodium falciparum thioredoxin reductase 0.0057 0.0457 0.3461
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0077 0.0222
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0286 0.5593
Plasmodium falciparum pyruvate kinase 0.004 0.0286 0.1936
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0077 0.0009
Toxoplasma gondii thioredoxin reductase 0.0057 0.0457 0.3461
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0077 0.0222
Plasmodium falciparum thioredoxin reductase 0.002 0.0077 0.0077

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 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) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 22.3872 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) 25.1189 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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