Detailed information for compound 1539055

Basic information

Technical information
  • TDR Targets ID: 1539055
  • Name: 1-[(3,4-difluorophenyl)methyl]-6-oxopyridine- 3-carboxamide
  • MW: 264.228 | Formula: C13H10F2N2O2
  • H donors: 1 H acceptors: 2 LogP: 0.68 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)c1ccc(=O)n(c1)Cc1ccc(c(c1)F)F
  • InChi: 1S/C13H10F2N2O2/c14-10-3-1-8(5-11(10)15)6-17-7-9(13(16)19)2-4-12(17)18/h1-5,7H,6H2,(H2,16,19)
  • InChiKey: YLGHTWPQHBGBJX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[(3,4-difluorophenyl)methyl]-6-oxo-pyridine-3-carboxamide
  • 1-[(3,4-difluorophenyl)methyl]-6-oxo-3-pyridinecarboxamide
  • 1-(3,4-difluorobenzyl)-6-keto-nicotinamide
  • 10E-340S
  • ZINC02561391
  • Oprea1_834047

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
Cryptosporidium parvum thioredoxin reductase 1 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione 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
Leishmania braziliensis trypanothione 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
Trypanosoma brucei gambiense 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
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
Echinococcus granulosus thioredoxin glutathione 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
Toxoplasma gondii thioredoxin reductase 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 vivax thioredoxin 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
Plasmodium knowlesi 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
Leishmania infantum trypanothione 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
Neospora caninum MGC84926 protein, related 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
Theileria parva thioredoxin 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 major 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
Loa Loa (eye worm) 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
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
Echinococcus multilocularis thioredoxin glutathione 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
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 cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania donovani 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 540 aa 23.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Leishmania major cathepsin L-like protease 0.002 0.0565 0.0353
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0448 0.0353
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Onchocerca volvulus 0.002 0.0565 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.057 0.0367
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.057 0.2052
Leishmania major cysteine peptidase A (CPA) 0.002 0.0565 0.0353
Brugia malayi Papain family cysteine protease containing protein 0.002 0.0565 0.0733
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0448 0.116
Loa Loa (eye worm) fibroinase 0.002 0.0565 0.0512
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Onchocerca volvulus Cathepsin F homolog 0.002 0.0565 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.2738 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.057 0.0739
Trypanosoma cruzi cysteine peptidase, putative 0.002 0.0565 0.1472
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2738 0.7229
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0565 0.2065
Onchocerca volvulus 0.002 0.0565 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.057 0.057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0448 0.0448
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Echinococcus granulosus cathepsin L 0.001 0.001 0.0037
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.057 0.2081
Brugia malayi Thioredoxin reductase 0.0057 0.2738 0.3601
Onchocerca volvulus 0.002 0.0565 1
Trichomonas vaginalis glutathione reductase, putative 0.002 0.057 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Echinococcus granulosus cathepsin l cysteine peptidase 0.002 0.0565 0.2065
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2738 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0565 0.0512
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0565 0.2065
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7832 1
Trypanosoma brucei trypanothione reductase 0.0057 0.2738 0.7229
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6988 0.8922
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.002 0.0565 0.2036
Brugia malayi Cathepsin L-like precursor 0.002 0.0565 0.0733
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0565 0.0565
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6988 0.8922
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.057 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0265 0.0336
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0187 0.3277
Schistosoma mansoni cathepsin F (C01 family) 0.002 0.0565 0.0565
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0448 0.1604
Leishmania major cathepsin L-like protease 0.0075 0.3783 1
Trypanosoma cruzi cruzipain precursor, putative 0.0075 0.3783 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Plasmodium falciparum cysteine proteinase falcipain 2a 0.002 0.0565 0.2036
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.057 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2738 0.3495
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Brugia malayi Cathepsin L-like precursor 0.002 0.0565 0.0733
Onchocerca volvulus 0.002 0.0565 1
Leishmania major cathepsin L-like protease 0.0075 0.3783 1
Echinococcus granulosus cathepsin l1 0.002 0.0565 0.2065
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.1484
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.001 0.0177
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6988 0.8922
Entamoeba histolytica cysteine protease, putative 0.002 0.0565 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Loa Loa (eye worm) glutathione reductase 0.0057 0.2738 0.3448
Mycobacterium tuberculosis Probable reductase 0.013 0.6988 0.8922
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0265 0.0336
Onchocerca volvulus Cathepsin L homolog 0.002 0.0565 1
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.7585 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7832 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Toxoplasma gondii cathepsin CPL 0.002 0.0565 0.0514
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.057 0.0728
Leishmania major trypanothione reductase 0.0057 0.2738 0.6866
Echinococcus multilocularis cysteine protease 0.002 0.0565 0.2065
Brugia malayi Cathepsin L-like precursor 0.002 0.0565 0.0733
Brugia malayi Cathepsin L-like precursor 0.0013 0.0187 0.0233
Echinococcus granulosus cathepsin L cysteine proteinase 0.002 0.0565 0.2065
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.057 0.1484
Plasmodium falciparum thioredoxin reductase 0.0057 0.2738 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.1484
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Onchocerca volvulus Cathepsin L homolog 0.002 0.0565 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0448 0.116
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0448 0.1635
Onchocerca volvulus 0.002 0.0565 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.057 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2738 1
Brugia malayi isocitrate dehydrogenase 0.0018 0.0448 0.0578
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.057 0.0367
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Plasmodium vivax vivapain-2 0.002 0.0565 0.2036
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.057 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.057 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.001 0.001
Leishmania major cathepsin L-like protease 0.0075 0.3783 1
Leishmania major cathepsin L-like protease 0.002 0.0565 0.0353
Leishmania major cathepsin L-like protease 0.002 0.0565 0.0353
Entamoeba histolytica cysteine proteinase, putative 0.0013 0.0187 0.3182
Plasmodium falciparum glutathione reductase 0.0057 0.2738 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Echinococcus multilocularis cathepsin l cysteine peptidase 0.002 0.0565 0.2065
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.057 0.1484
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.1484
Echinococcus multilocularis cathepsin L 0.001 0.001 0.0037
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7832 1
Plasmodium falciparum glutathione reductase 0.002 0.057 0.2052
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2738 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Loa Loa (eye worm) ctsf protein 0.002 0.0565 0.0512
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0565 1
Schistosoma mansoni cathepsin F (C01 family) 0.0013 0.0187 0.0187
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.3783 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0448 0.1635
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0565 0.9921
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.1484
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0448 0.116
Trypanosoma cruzi major cysteine proteinase, putative 0.0059 0.2849 0.7525
Loa Loa (eye worm) cysteine protease 0.002 0.0565 0.0512
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.057 0.1484
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.1484
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0448 0.1635
Echinococcus granulosus cathepsin L cysteine protease 0.001 0.001 0.0037
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.0367
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.0367
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.057 0.2052
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.057 0.5
Trichomonas vaginalis mercuric reductase, putative 0.002 0.057 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Loa Loa (eye worm) papain family cysteine protease containing protein 0.002 0.0565 0.0512
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6988 0.8922
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0069 0.3404 0.8997
Brugia malayi Cathepsin L-like precursor 0.002 0.0565 0.0733
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.001 0.001
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.057 0.0534
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2738 0.3448
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Brugia malayi glutathione reductase 0.0057 0.2738 0.3601
Brugia malayi MH2 domain containing protein 0.0141 0.7585 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Echinococcus multilocularis cysteine protease 0.002 0.0565 0.2065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.002 0.0565 0.9921
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.057 0.1484
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.057 0.1484
Plasmodium vivax vivapain-2 0.002 0.0565 0.2036
Brugia malayi Cathepsin L-like precursor 0.002 0.0565 0.0733
Leishmania major cathepsin L-like protease 0.002 0.0565 0.0353
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.2738 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0013 0.0187 0.3277
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0018 0.0448 0.0571
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0448 0.116
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.057 0.0534
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0448 0.1635
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.057 0.2081
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7832 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0448 0.1604
Leishmania major cathepsin L-like protease 0.002 0.0565 0.0353
Entamoeba histolytica cysteine proteinase, putative 0.002 0.0565 1
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0448 0.0578
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.057 0.2052
Treponema pallidum NADH oxidase 0.002 0.057 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0448 0.1635
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.001 0.001 0.001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.3783 1
Brugia malayi Cathepsin L-like precursor 0.002 0.0565 0.0733
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6988 0.8922
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0075 0.3783 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Echinococcus granulosus cysteine protease 0.001 0.001 0.0037
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.057 0.1484
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.002 0.0565 0.9921
Brugia malayi Cathepsin L-like cysteine proteinase 0.0013 0.0187 0.0233
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.6988 0.8922
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.057 0.2052
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.001 0.001 0.0177
Onchocerca volvulus 0.002 0.0565 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.002 0.0565 0.9921
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.057 0.1484
Echinococcus granulosus cathepsin l1 0.0013 0.0187 0.0682
Plasmodium falciparum thioredoxin reductase 0.002 0.057 0.2052
Echinococcus multilocularis cathepsin L cysteine protease 0.002 0.0565 0.2065
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.7585 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.057 1
Onchocerca volvulus 0.002 0.0565 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.002 0.0565 0.0512
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0448 0.1635
Brugia malayi cathepsin L-like precursor 0.0013 0.0187 0.0233
Brugia malayi Cathepsin L-like precursor 0.0013 0.0187 0.0233
Plasmodium falciparum cysteine proteinase falcipain 2b 0.002 0.0565 0.2036
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.057 0.1484
Trypanosoma cruzi cysteine peptidase, putative 0.0075 0.3783 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.6169 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.2202 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] 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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