Detailed information for compound 828817

Basic information

Technical information
  • TDR Targets ID: 828817
  • Name: N-(2,5-dimethylphenyl)-2-(3-oxo-4H-1,4-benzox azin-2-yl)acetamide
  • MW: 310.347 | Formula: C18H18N2O3
  • H donors: 2 H acceptors: 2 LogP: 2.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(C)ccc1C)CC1Oc2ccccc2NC1=O
  • InChi: 1S/C18H18N2O3/c1-11-7-8-12(2)14(9-11)19-17(21)10-16-18(22)20-13-5-3-4-6-15(13)23-16/h3-9,16H,10H2,1-2H3,(H,19,21)(H,20,22)
  • InChiKey: KJZPAMMMCVRULZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,5-dimethylphenyl)-2-(3-keto-4H-1,4-benzoxazin-2-yl)acetamide
  • N-(2,5-dimethylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi glutathione 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
Echinococcus multilocularis thioredoxin 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
Trypanosoma brucei trypanothione 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) glutathione 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
Neospora caninum Glutathione reductase, related 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
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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva thioredoxin 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
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 483 aa 23.0 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
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 vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0805 0.0805
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Echinococcus multilocularis pyridine nucleotide disulfide oxidoreductase 0.0005 0.0082 0.0082
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Echinococcus multilocularis NADPH:adrenodoxin oxidoreductase 0.0005 0.0082 0.0082
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0805 0.3025
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0805 1
Loa Loa (eye worm) pyridine nucleotide-disufhide oxidoreductase 0.0005 0.0082 0.0308
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0005 0.0082 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0805 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7023 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.63 0.8958
Plasmodium falciparum glutathione reductase 0.0057 0.2661 1
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0005 0.0082 1
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0082 0.0082
Brugia malayi glutamate synthase 0.0005 0.0082 0.0308
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.63 0.8958
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0005 0.0082 0.1017
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0805 0.3025
Schistosoma mansoni glutamate synthase 0.0005 0.0082 0.0082
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0005 0.0082 0.0082
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.0082 0.0308
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0005 0.0082 0.1017
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0805 0.3025
Leishmania major 2,4-dienoyl-coa reductase fadh1, putative 0.0005 0.0082 0.0308
Schistosoma mansoni disulfide oxidoreductase 0.0005 0.0082 0.0082
Entamoeba histolytica disulphide oxidoreductase, putative 0.0005 0.0082 1
Plasmodium vivax NAD(P)H-dependent glutamate synthase, putative 0.0005 0.0082 0.0308
Giardia lamblia Thioredoxin reductase 0.0005 0.0082 0.1017
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0805 0.1042
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0805 0.3025
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0805 0.0805
Leishmania major hypothetical protein, conserved 0.0005 0.0082 0.0308
Toxoplasma gondii selenide, water dikinase 0.0005 0.0082 0.0308
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2568 0.2568
Loa Loa (eye worm) hypothetical protein 0.0005 0.0082 0.0308
Giardia lamblia Glutamate synthase 0.0005 0.0082 0.1017
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0005 0.0082 0.1017
Echinococcus granulosus NADPH:adrenodoxin oxidoreductase 0.0005 0.0082 0.0082
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0805 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0805 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7023 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2661 1
Echinococcus multilocularis geminin 0.0205 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Plasmodium falciparum ferrodoxin reductase-like protein 0.0005 0.0082 0.0308
Echinococcus granulosus apoptosis inducing factor 1 mitochondrial 0.0005 0.0082 0.0082
Onchocerca volvulus 0.0005 0.0082 0.014
Plasmodium falciparum thioredoxin reductase 0.002 0.0805 0.3025
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0082 0.0082
Echinococcus granulosus sulfide:quinone oxidoreductase 0.0005 0.0082 0.0082
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0805 0.3025
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0805 1
Leishmania major hypothetical protein, conserved 0.0005 0.0082 0.0308
Trichomonas vaginalis dihydrolipoamide dehydrogenase, putative 0.0005 0.0082 0.1017
Onchocerca volvulus 0.0121 0.5863 1
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0005 0.0082 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2661 0.2661
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0805 0.3025
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0005 0.0082 1
Schistosoma mansoni glutamate synthase 0.0005 0.0082 0.0082
Brugia malayi Thioredoxin reductase 0.0057 0.2661 1
Leishmania major trypanothione reductase 0.0057 0.2661 1
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0805 0.3025
Schistosoma mansoni glutamate synthase 0.0005 0.0082 0.0082
Plasmodium falciparum glutathione reductase 0.002 0.0805 0.3025
Trypanosoma cruzi 2,4-dienoyl-coa reductase-like protein, putative 0.0005 0.0082 0.0308
Echinococcus multilocularis sulfide:quinone oxidoreductase 0.0005 0.0082 0.0082
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0005 0.0082 0.0082
Trypanosoma cruzi NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0005 0.0082 0.0308
Plasmodium vivax glutathione reductase, putative 0.0057 0.2661 1
Toxoplasma gondii NADH dehydrogenase (NDH2-II) 0.0005 0.0082 0.0308
Leishmania major NADH dehydrogenase, putative 0.0005 0.0082 0.0308
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.63 0.8958
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0805 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0805 0.3025
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2568 0.2568
Mycobacterium tuberculosis Probable reductase 0.013 0.63 0.8958
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0805 0.3025
Entamoeba histolytica thioredoxin reductase, putative 0.0005 0.0082 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2661 0.3716
Trichomonas vaginalis glutamate synthase, putative 0.0005 0.0082 0.1017
Plasmodium falciparum NAD(P)H-dependent glutamate synthase, putative 0.0005 0.0082 0.0308
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2568 0.2568
Echinococcus multilocularis apoptosis inducing factor 1 mitochondrial 0.0005 0.0082 0.0082
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0005 0.0082 0.0082
Trypanosoma cruzi hypothetical protein, conserved 0.0005 0.0082 0.0308
Trypanosoma brucei NADH dehydrogenase 0.0005 0.0082 0.0308
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0005 0.0082 0.0308
Leishmania major 2,4-dienoyl-coa reductase-like protein 0.0005 0.0082 0.0308
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0805 0.3025
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0805 0.3025
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0805 0.3025
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2568 0.2568
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0005 0.0082 0.0308
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2568 0.9652
Trypanosoma brucei 2,4-dienoyl-coa reductase-like protein 0.0005 0.0082 0.0308
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0005 0.0082 0.1017
Trypanosoma cruzi NADH dehydrogenase, putative 0.0005 0.0082 0.0308
Brugia malayi glutathione reductase 0.0057 0.2661 1
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0005 0.0082 0.0308
Trypanosoma brucei hypothetical protein, conserved 0.0005 0.0082 0.0308
Trichomonas vaginalis apoptosis inducing factor, putative 0.0005 0.0082 0.1017
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0805 1
Loa Loa (eye worm) programmed cell death 8 0.0005 0.0082 0.0308
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0005 0.0082 0.0308
Trypanosoma cruzi NADH dehydrogenase, putative 0.0005 0.0082 0.0308
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma cruzi pyridine nucleotide-disulphide oxidoreductase, putative 0.0005 0.0082 0.0308
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2568 0.2568
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2661 0.2661
Toxoplasma gondii thioredoxin reductase 0.0057 0.2661 1
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0005 0.0082 0.0308
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2661 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.63 0.8958
Plasmodium falciparum thioredoxin reductase 0.0057 0.2661 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0805 0.3025
Plasmodium vivax type II NADH:ubiquinone oxidoreductase, putative 0.0005 0.0082 0.0308
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0005 0.0082 0.1017
Echinococcus granulosus glutamate synthase 0.0005 0.0082 0.0082
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.63 0.8958
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0805 0.3025
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0805 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase family protein 0.0005 0.0082 0.0308
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7023 1
Giardia lamblia Glycerol-3-phosphate dehydrogenase 0.0005 0.0082 0.1017
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0805 0.3025
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0005 0.0082 1
Echinococcus multilocularis glutamate synthase 0.0005 0.0082 0.0082
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0005 0.0082 0.1017
Echinococcus granulosus pyridine nucleotide disulfide oxidoreductase 0.0005 0.0082 0.0082
Plasmodium vivax ferrodoxin reductase, putative 0.0005 0.0082 0.0308
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2568 0.9652
Trichomonas vaginalis disulfide oxidoreductase, putative 0.0005 0.0082 0.1017
Toxoplasma gondii non-proton pumping type-II NADH dehydrogenase I 0.0005 0.0082 0.0308
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.63 0.8958
Treponema pallidum NADH oxidase 0.002 0.0805 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2568 0.2568
Brugia malayi NADPH:adrenodoxin oxidoreductase, mitochondrial precursor 0.0005 0.0082 0.0308
Loa Loa (eye worm) glutathione reductase 0.0057 0.2661 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7023 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2568 0.2568
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0544 0.2043
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0005 0.0082 0.1017
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0544 0.2043
Leishmania major hypothetical protein, conserved 0.0005 0.0082 0.0308
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0805 0.0805
Trypanosoma cruzi 2,4-dienoyl-coa reductase fadh1, putative 0.0005 0.0082 0.0308
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0005 0.0082 0.0082
Plasmodium falciparum type II NADH:ubiquinone oxidoreductase 0.0005 0.0082 0.0308
Trypanosoma brucei pyridine nucleotide-disulphide oxidoreductase, putative 0.0005 0.0082 0.0308
Trypanosoma brucei trypanothione reductase 0.0057 0.2661 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0805 0.3025
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2661 1
Schistosoma mansoni hypothetical protein 0.0005 0.0082 0.0082
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Trichomonas vaginalis glutamate synthase, putative 0.0005 0.0082 0.1017
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0005 0.0082 0.1017
Schistosoma mansoni hypothetical protein 0.0205 1 1
Trypanosoma brucei NADPH:adrenodoxin oxidoreductase, mitochondrial, putative 0.0005 0.0082 0.0308
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0805 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0805 0.3025
Toxoplasma gondii pyridine nucleotide-disulfide oxidoreductase domain-containing protein 0.0005 0.0082 0.0308

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.092 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) 1.2589 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 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 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
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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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