Detailed information for compound 1417659

Basic information

Technical information
  • TDR Targets ID: 1417659
  • Name: 3-(5-chloro-2,4-dimethoxyphenyl)-N-(thiophen- 2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxa mide
  • MW: 380.846 | Formula: C17H17ClN2O4S
  • H donors: 1 H acceptors: 1 LogP: 2.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c(cc1C1=NOC(C1)C(=O)NCc1cccs1)Cl
  • InChi: 1S/C17H17ClN2O4S/c1-22-14-8-15(23-2)12(18)6-11(14)13-7-16(24-20-13)17(21)19-9-10-4-3-5-25-10/h3-6,8,16H,7,9H2,1-2H3,(H,19,21)
  • InChiKey: FVCBYEQBUNEASZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(5-chloro-2,4-dimethoxy-phenyl)-N-(2-thienylmethyl)-4,5-dihydroisoxazole-5-carboxamide
  • 3-(5-chloro-2,4-dimethoxyphenyl)-N-(2-thienylmethyl)-4,5-dihydroisoxazole-5-carboxamide
  • 3-(5-chloro-2,4-dimethoxy-phenyl)-N-(thiophen-2-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
  • 3-(5-chloro-2,4-dimethoxyphenyl)-N-(2-thienylmethyl)-4,5-dihydro-5-isoxazolecarboxamide
  • MLS000664631
  • SMR000296340
  • STK340538

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania major 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
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin 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
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum glutathione 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
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium parvum thioredoxin reductase 1 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
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Cryptosporidium hominis thioredoxin 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 isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi thioredoxin reductase, putative 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) 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
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
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 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani 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 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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
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 congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
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 %
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2121 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2121 0.3025
Treponema pallidum NADH oxidase 0.002 0.0128 1
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0128 0.0186
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.6804 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0061 0.2323 0.2323
Toxoplasma gondii exonuclease III APE 0.0019 0.0096 0.0027
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.6028 0.8844
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2121 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0128 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.6028 0.8844
Brugia malayi hypothetical protein 0.0182 0.8817 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0128 0.0128
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Plasmodium falciparum glutathione reductase 0.002 0.0128 0.0186
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0128 0.0186
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0128 0.5
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0128 0.0186
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0096 0.0006
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0096 0.0096
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.009 0.009
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0195 0.0221
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.6028 0.8844
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0096 0.0008
Brugia malayi Bromodomain containing protein 0.0076 0.3157 0.3514
Echinococcus granulosus zinc finger protein 0.002 0.0137 0.0137
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Brugia malayi glutathione reductase 0.0057 0.2121 0.2327
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2121 0.2405
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1028 0.1028
Mycobacterium tuberculosis Probable reductase 0.013 0.6028 0.8844
Loa Loa (eye worm) hypothetical protein 0.0072 0.2924 0.3316
Loa Loa (eye worm) hypothetical protein 0.0182 0.8817 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.2121 0.2405
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0096 0.0027
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0128 0.0186
Brugia malayi Thioredoxin reductase 0.0057 0.2121 0.2327
Plasmodium vivax glutathione reductase, putative 0.0057 0.2121 1
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0128 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0128 0.0056
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0128 0.0186
Plasmodium falciparum glutathione reductase 0.0057 0.2121 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0299 0.0299
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Toxoplasma gondii thioredoxin reductase 0.0057 0.2121 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0096 0.0027
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1028 0.1028
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.6028 0.8844
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.6028 0.8844
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0128 0.0186
Loa Loa (eye worm) hypothetical protein 0.0042 0.129 0.1463
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0128 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.009 0.009
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.009 0.009
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0128 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0128 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.6804 1
Echinococcus multilocularis geminin 0.0205 1 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0128 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0128 1
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0128 0.0186
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0128 0.0043
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0096 0.0027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0299 0.0299
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0128 0.0186
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0128 0.0128
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0096 0.0108
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0096 0.0027
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0128 0.0186
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2121 0.2121
Brugia malayi PHD-finger family protein 0.0025 0.0428 0.0387
Schistosoma mansoni ap endonuclease 0.0019 0.0096 0.0096
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0299 0.0299
Onchocerca volvulus 0.0182 0.8817 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.6804 1
Schistosoma mansoni zinc finger protein 0.002 0.0137 0.0137
Leishmania major trypanothione reductase 0.0057 0.2121 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.6804 1
Schistosoma mansoni ap endonuclease 0.0019 0.0096 0.0096
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.009 0.009
Plasmodium falciparum thioredoxin reductase 0.0057 0.2121 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0128 0.0186
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0033 0.0038
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0128 0.0186
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0128 0.0186
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0128 0.0186
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.009 0.0102
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0096 0.0027
Loa Loa (eye worm) hypothetical protein 0.0039 0.1161 0.1317
Trypanosoma brucei trypanothione reductase 0.0057 0.2121 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0096 0.0027
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0061 0.2323 0.2323
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0128 0.0186
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.009 0.009
Echinococcus multilocularis zinc finger protein 0.002 0.0137 0.0137
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0128 0.0128
Brugia malayi Bromodomain containing protein 0.0039 0.1157 0.1223
Schistosoma mansoni hypothetical protein 0.0021 0.0195 0.0195
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.009 0.009
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0128 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0096 0.0096
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2121 0.2121
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.009 0.009
Schistosoma mansoni hypothetical protein 0.0205 1 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0096 0.5
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0128 0.0186
Schistosoma mansoni bromodomain containing protein 0.0065 0.2518 0.2518
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0128 0.0186
Loa Loa (eye worm) hypothetical protein 0.0044 0.1394 0.1581
Plasmodium falciparum thioredoxin reductase 0.002 0.0128 0.0186

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 31.976 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 63.719 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 108.3 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compounds Cytotoxic to RAS-Dependent BJ-TERT-LT-ST Fibroblast. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1554, AID1674] ChEMBL. No reference
EC50 (functional) > 150 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.7079 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) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.1095 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 9.2 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (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

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.
 
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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