Detailed information for compound 1320811

Basic information

Technical information
  • TDR Targets ID: 1320811
  • Name: BAS 12490266
  • MW: 437.492 | Formula: C23H27N5O4
  • H donors: 2 H acceptors: 3 LogP: 1.68 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2n(c1)c(=O)c1c(n2)nc(c(c1)C(=O)NCC1CCCO1)NCC1CCCO1
  • InChi: 1S/C23H27N5O4/c1-14-6-7-19-26-21-18(23(30)28(19)13-14)10-17(22(29)25-12-16-5-3-9-32-16)20(27-21)24-11-15-4-2-8-31-15/h6-7,10,13,15-16H,2-5,8-9,11-12H2,1H3,(H,24,27)(H,25,29)
  • InChiKey: TYJAQYYIAVZDEF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000718469
  • SMR000290737

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens kallikrein-related peptidase 7 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Thioredoxin 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum thioredoxin 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
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis thioredoxin glutathione 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
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Cryptosporidium hominis 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
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax thioredoxin reductase, putative 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
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) thioredoxin 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 brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
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 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Brugia malayi Trypsin family protein kallikrein-related peptidase 7 181 aa 186 aa 32.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4003 0.7044
Mycobacterium tuberculosis Probable reductase 0.013 0.1783 0.8837
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0724 0.1274
Echinococcus multilocularis snurportin 1 0.0372 0.5682 1
Leishmania major importin beta-1 subunit, putative 0.0028 0.0136 0.1578
Schistosoma mansoni hypothetical protein 0.0065 0.0724 0.1274
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0864 1
Brugia malayi MH2 domain containing protein 0.0044 0.0384 0.0384
Echinococcus granulosus smad 0.0044 0.0384 0.0675
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0602 0.106
Echinococcus multilocularis muscleblind protein 0.018 0.2593 0.4563
Brugia malayi RNA recognition motif domain containing protein 0.0268 0.4003 0.4003
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0172 0.2855
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1783 0.8837
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2018 1
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4003 0.7044
Echinococcus granulosus snurportin 1 0.0372 0.5682 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0243 0.4029
Loa Loa (eye worm) hypothetical protein 0.018 0.2593 0.2541
Leishmania major hypothetical protein, conserved 0.003 0.0172 0.199
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0172 0.2855
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0094 0.0094
Entamoeba histolytica hypothetical protein 0.0028 0.0136 1
Schistosoma mansoni hypothetical protein 0.0065 0.0724 0.1274
Brugia malayi hypothetical protein 0.003 0.0172 0.0172
Loa Loa (eye worm) glutathione reductase 0.0057 0.0602 0.0537
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0602 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0724 0.1274
Echinococcus multilocularis Smad4 0.0044 0.0384 0.0675
Plasmodium vivax importin-beta 2, putative 0.0035 0.0243 0.4029
Brugia malayi MH2 domain containing protein 0.0044 0.0384 0.0384
Echinococcus multilocularis muscleblind protein 1 0.018 0.2593 0.4563
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0094 0.0025
Toxoplasma gondii thioredoxin reductase 0.0057 0.0602 0.697
Echinococcus granulosus mothers against decapentaplegic 5 0.0044 0.0384 0.0675
Brugia malayi RNA binding protein 0.0268 0.4003 0.4003
Brugia malayi Muscleblind-like protein 0.018 0.2593 0.2593
Schistosoma mansoni hypothetical protein 0.0205 0.2984 0.5252
Loa Loa (eye worm) hypothetical protein 0.0204 0.2977 0.2928
Schistosoma mansoni ran 0.0026 0.0094 0.0166
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0602 0.106
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0602 0.0537
Schistosoma mansoni hypothetical protein 0.0372 0.5682 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0864 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0864 0.1521
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4003 0.7044
Brugia malayi MH1 domain containing protein 0.0024 0.0069 0.0069
Schistosoma mansoni ran 0.0026 0.0094 0.0166
Echinococcus granulosus importin subunit beta 1 0.0035 0.0243 0.0427
Brugia malayi MH1 domain containing protein 0.0044 0.0384 0.0384
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0864 0.1521
Plasmodium falciparum importin beta, putative 0.0035 0.0243 0.4029
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0136 1
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4003 0.7044
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2018 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0243 0.2808
Loa Loa (eye worm) MH2 domain-containing protein 0.0639 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0172 0.2855
Echinococcus multilocularis geminin 0.0205 0.2984 0.5252
Echinococcus granulosus TGF beta signal transducer SmadC 0.0044 0.0384 0.0675
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0172 0.2855
Loa Loa (eye worm) hypothetical protein 0.014 0.1934 0.1878
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0136 1
Loa Loa (eye worm) hypothetical protein 0.018 0.2593 0.2541
Trichomonas vaginalis ran, putative 0.0026 0.0094 0.6913
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0243 0.4029
Loa Loa (eye worm) hypothetical protein 0.0035 0.0243 0.0175
Schistosoma mansoni hypothetical protein 0.0065 0.0724 0.1274
Plasmodium falciparum thioredoxin reductase 0.0057 0.0602 1
Echinococcus granulosus GPCR family 2 0.0065 0.0724 0.1274
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0136 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0094 0.0166
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0136 0.2264
Schistosoma mansoni smad 0.0044 0.0384 0.0675
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0204 0.2977 0.2977
Brugia malayi Smad1 0.0044 0.0384 0.0384
Schistosoma mansoni hypothetical protein 0.0065 0.0724 0.1274
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2018 1
Schistosoma mansoni importin beta-1 0.0035 0.0243 0.0427
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0094 0.1565
Echinococcus granulosus tar DNA binding protein 0.0268 0.4003 0.7044
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Plasmodium falciparum glutathione reductase 0.0057 0.0602 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0172 0.2855
Schistosoma mansoni hypothetical protein 0.0205 0.2984 0.5252
Echinococcus granulosus Smad4 0.0044 0.0384 0.0675
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0268 0.4003 0.3961
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0602 0.2985
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0724 0.0659
Schistosoma mansoni hypothetical protein 0.014 0.1934 0.3404
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0724 0.0724
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0204 0.2977 0.2928
Brugia malayi Calcitonin receptor-like protein seb-1 0.0204 0.2977 0.2977
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1783 0.8837
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0243 0.0427
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0864 0.4283
Treponema pallidum NADH oxidase 0.002 0 0.5
Schistosoma mansoni smad1 5 8 and 0.0044 0.0384 0.0675
Brugia malayi TAR-binding protein 0.0268 0.4003 0.4003
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0094 0.1091
Leishmania major GTP-binding protein, putative 0.0026 0.0094 0.1091
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0724 0.1274
Brugia malayi RNA, U transporter 1 0.0099 0.1279 0.1279
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0094 1
Loa Loa (eye worm) Smad1 0.0044 0.0384 0.0316
Brugia malayi glutathione reductase 0.0057 0.0602 0.0602
Schistosoma mansoni tar DNA-binding protein 0.0268 0.4003 0.7044
Echinococcus multilocularis tar DNA binding protein 0.0268 0.4003 0.7044
Echinococcus granulosus geminin 0.0205 0.2984 0.5252
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0864 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0094 0.1565
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0864 0.1521
Loa Loa (eye worm) MH2 domain-containing protein 0.0044 0.0384 0.0316
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0724 0.1274
Loa Loa (eye worm) transcription factor SMAD2 0.0639 1 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0044 0.0384 0.0316
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2018 1
Brugia malayi latrophilin 2 splice variant baaae 0.014 0.1934 0.1934
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0172 0.199
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0094 0.0166
Brugia malayi Thioredoxin reductase 0.0057 0.0602 0.0602
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0864 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0864 1
Brugia malayi MH1 domain containing protein 0.0024 0.0069 0.0069
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0044 0.0384 0.0675
Plasmodium vivax glutathione reductase, putative 0.0057 0.0602 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0094 0.1565
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0094 0.1565
Schistosoma mansoni smad1 5 8 and 0.0044 0.0384 0.0675
Trypanosoma brucei trypanothione reductase 0.0057 0.0602 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0172 0.0103
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0044 0.0384 0.0675
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0724 0.0724
Brugia malayi MH1 domain containing protein 0.0044 0.0384 0.0384
Brugia malayi Importin beta-1 subunit 0.0035 0.0243 0.0243
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0864 0.1521
Loa Loa (eye worm) RNA binding protein 0.0268 0.4003 0.3961
Schistosoma mansoni smad1 5 8 and 0.0044 0.0384 0.0675
Echinococcus granulosus muscleblind protein 0.018 0.2593 0.4563
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0172 0.2855
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0 0.5
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0094 0.1565
Echinococcus multilocularis mothers against decapentaplegic 5 0.0044 0.0384 0.0675
Loa Loa (eye worm) hypothetical protein 0.0065 0.0724 0.0659
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1783 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0602 1
Leishmania major trypanothione reductase 0.0057 0.0602 0.697
Schistosoma mansoni Smad4 0.0044 0.0384 0.0675
Echinococcus multilocularis GPCR, family 2 0.0065 0.0724 0.1274
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1783 0.8837
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1783 0.8837
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.5682 0.5652
Loa Loa (eye worm) TAR-binding protein 0.0268 0.4003 0.3961
Echinococcus multilocularis smad 0.0044 0.0384 0.0675

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) 7.785 uM PubChem BioAssay. Fluorescence Intensity-based biochemical primary high throughput dose response assay to identify activators of kallikrein-7 (K7) zymogen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 1.5849 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.5929 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 (binding) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6109 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) 5.0119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.