Detailed information for compound 1414469

Basic information

Technical information
  • TDR Targets ID: 1414469
  • Name: methyl 1-[1-[(4-fluorophenyl)methyl]-2,6-diox o-3H-pyrimidin-4-yl]piperidine-4-carboxylate
  • MW: 361.368 | Formula: C18H20FN3O4
  • H donors: 1 H acceptors: 3 LogP: 1.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1CCN(CC1)c1cc(=O)n(c(=O)[nH]1)Cc1ccc(cc1)F
  • InChi: 1S/C18H20FN3O4/c1-26-17(24)13-6-8-21(9-7-13)15-10-16(23)22(18(25)20-15)11-12-2-4-14(19)5-3-12/h2-5,10,13H,6-9,11H2,1H3,(H,20,25)
  • InChiKey: NPONCGRNYZBFCW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[1-[(4-fluorophenyl)methyl]-2,6-dioxo-3H-pyrimidin-4-yl]-4-piperidinecarboxylic acid methyl ester
  • 1-[1-(4-fluorobenzyl)-2,6-diketo-3H-pyrimidin-4-yl]isonipecotic acid methyl ester
  • MLS000102307
  • MLS000045858
  • SMR000016620

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, beta, acid 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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Babesia bovis thiodoxin 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 congolense trypanothione reductase, putative 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium vivax glutathione 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
Brugia malayi O-Glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania braziliensis trypanothione reductase 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Glucosylceramidase homolog Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania major trypanothione 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Leishmania donovani 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Leishmania mexicana trypanothione 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
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
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Echinococcus granulosus thioredoxin 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 infantum 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein Get druggable targets OG5_129423 All targets in OG5_129423
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis glucosylceramidase, putative Get druggable targets OG5_129423 All targets in OG5_129423
Plasmodium falciparum glutathione 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
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
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 483 aa 23.0 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
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 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
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 489 aa 22.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0024 0.0027 0.0016
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0416 0.0416
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.0025
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0047 0.0036
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0473 0.055
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.0029
Giardia lamblia PHD finger protein 15 0.0028 0.0047 1
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.007 0.022 0.022
Echinococcus granulosus microtubule associated protein 2 0.0674 0.2751 0.2744
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0784 0.0901
Mycobacterium tuberculosis Probable reductase 0.013 0.0473 0.055
Loa Loa (eye worm) glutathione reductase 0.0057 0.0167 0.0167
Onchocerca volvulus Alhambra homolog 0.0028 0.0047 0.0293
Onchocerca volvulus Glucosylceramidase homolog 0.0205 0.0784 1
Mycobacterium ulcerans transcriptional regulator NrdR 0.0333 0.1324 0.1539
Chlamydia trachomatis transcriptional repressor NrdR 0.0333 0.1324 0.1324
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0072 0.0062
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit beta 0.007 0.022 0.0244
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0534 0.0594
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.007 0.022 0.0256
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0025 0.0014
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.2072 0.8604 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0025 0.5
Brugia malayi MH2 domain containing protein 0.0117 0.0416 0.0406
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.2405 1 1
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0333 0.1324 0.1539
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.001 0.001
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0167 0.0194
Echinococcus granulosus jumonji domain containing protein 0.004 0.0094 0.0083
Brugia malayi glutathione reductase 0.0057 0.0167 0.0156
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0473 0.055
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.2405 1 1
Brugia malayi Bromodomain containing protein 0.0028 0.0047 0.0036
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.2405 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0167 0.0156
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0784 0.0901
Plasmodium falciparum thioredoxin reductase 0.002 0.001 0.001
Brugia malayi PHD-finger family protein 0.0028 0.0047 0.0036
Mycobacterium ulcerans hypothetical protein 0.0023 0.0025 0.0029
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0318 0.0308
Echinococcus multilocularis peregrin 0.0028 0.0047 0.0036
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0025 0.0014
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.001 0.0012
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0025 0.0029
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.007 0.022 0.021
Plasmodium falciparum phd finger protein, putative 0.0028 0.0047 0.0047
Echinococcus granulosus PHD finger protein rhinoceros 0.0028 0.0047 0.0036
Mycobacterium leprae conserved hypothetical protein 0.0333 0.1324 0.1514
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.2072 0.8604 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.001 0.0012
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.007 0.022 0.021
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0024 0.0027 0.0027
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0534 0.062
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0025 0.0029
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0072 0.0062
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.007 0.022 0.021
Trypanosoma brucei trypanothione reductase 0.0057 0.0167 0.0156
Echinococcus granulosus peregrin 0.0028 0.0047 0.0036
Plasmodium falciparum thioredoxin reductase 0.0057 0.0167 0.0167
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.001 0.0012
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit beta 0.0024 0.0027 0.0031
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (BETA CHAIN) NRDF (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R2F PROTEIN) 0.0024 0.0027 0.0003
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.2405 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.0029
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0072 0.0062
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0784 0.0901
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit beta 0.007 0.022 0.022
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.001 0.001
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0416 0.0416
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.2405 1 1
Schistosoma mansoni hypothetical protein 0.0028 0.0047 0.0036
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0238 0.0228
Brugia malayi Thioredoxin reductase 0.0057 0.0167 0.0156
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0636 0.2589 0.2581
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.2405 1 1
Plasmodium vivax hypothetical protein, conserved 0.0028 0.0047 0.0047
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.001 0.001
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.2405 1 1
Brugia malayi jmjC domain containing protein 0.0034 0.0072 0.0062
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0312 0.1233 0.1233
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.2072 0.8604 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0167 0.0167
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.007 0.022 0.021
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0318 0.0308
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.007 0.022 0.021
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.007 0.022 0.022
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.007 0.022 0.021
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0784 0.0901
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0831 0.0954
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0473 0.055
Loa Loa (eye worm) hypothetical protein 0.0049 0.0132 0.0132
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0028 0.0047 0.0047
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.007 0.022 0.021
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0167 0.0156
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1233 0.1423
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.0025
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.2072 0.8604 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.001 0.001
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0534 0.062
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.007 0.022 0.022
Echinococcus multilocularis PHD finger protein rhinoceros 0.0028 0.0047 0.0036
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0025 0.5
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.007 0.022 0.021
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.2405 1 1
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.007 0.022 0.021
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0167 0.0167
Loa Loa (eye worm) PHD-finger family protein 0.0028 0.0047 0.0047
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0025 0.0029
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0028 0.0047 0.0036
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0473 0.055
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.2405 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1233 0.1423
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.001 0.0012
Brugia malayi ribonucleotide reductase 2 0.007 0.022 0.021
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.2751 0.2744
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.007 0.022 0.021
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1233 0.1423
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0094 0.0083
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0014
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.007 0.022 0.021
Leishmania major trypanothione reductase 0.0057 0.0167 0.0156
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.2072 0.8604 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0025 0.0029
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0473 0.055
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0784 0.0901
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0025 0.0029
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.001 0.001
Plasmodium falciparum glutathione reductase 0.0057 0.0167 0.0167
Plasmodium vivax ribonucleotide reductase small subunit, putative 0.0024 0.0027 0.0027
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0174 0.0174
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.007 0.022 0.021
Treponema pallidum ribonucleotide-diphosphate reductase subunit beta 0.007 0.022 0.021
Brugia malayi jmjC domain containing protein 0.0093 0.0318 0.0308
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1233 0.1423
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.2751 0.2744
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0025 0.0029
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0025 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1233 0.1423
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0025 0.0029
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0473 0.0523
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.2405 1 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.2405 1 1
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0745 0.3047 0.3541
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0072 0.0062
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0534 0.062
Plasmodium vivax glutathione reductase, putative 0.0057 0.0167 0.0167
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0784 0.0901
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.0047 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0014
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.2405 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0025 0.0025
Trichomonas vaginalis glucosylceramidase, putative 0.0216 0.0831 0.0954
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.007 0.022 0.0256
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0025 0.0014
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0167 0.0156
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0312 0.1233 0.1224
Trichomonas vaginalis glucosylceramidase, putative 0.0312 0.1233 0.1423
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0025 0.0014
Plasmodium falciparum glutathione reductase 0.002 0.001 0.001
Toxoplasma gondii thioredoxin reductase 0.0057 0.0167 0.0156
Trichomonas vaginalis glucosylceramidase, putative 0.0205 0.0784 0.0901

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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