Detailed information for compound 1352839

Basic information

Technical information
  • TDR Targets ID: 1352839
  • Name: (E)-N-(1,1-dioxothiolan-3-yl)-3-furan-2-yl-N- [(3-methoxyphenyl)methyl]prop-2-enamide
  • MW: 375.439 | Formula: C19H21NO5S
  • H donors: 0 H acceptors: 3 LogP: 1.95 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CN(C1CCS(=O)(=O)C1)C(=O)/C=C/c1ccco1
  • InChi: 1S/C19H21NO5S/c1-24-18-5-2-4-15(12-18)13-20(16-9-11-26(22,23)14-16)19(21)8-7-17-6-3-10-25-17/h2-8,10,12,16H,9,11,13-14H2,1H3/b8-7+
  • InChiKey: QBBOIBYJFCNZTG-BQYQJAHWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-N-(1,1-dioxothiolan-3-yl)-3-(2-furyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
  • (E)-N-(1,1-dioxo-3-thiolanyl)-3-(2-furyl)-N-[(3-methoxyphenyl)methyl]prop-2-enamide
  • (E)-N-(1,1-diketothiolan-3-yl)-3-(2-furyl)-N-(3-methoxybenzyl)acrylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative 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
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi glutathione reductase 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
Babesia bovis thiodoxin reductase, putative 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
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative 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
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative 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
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii thioredoxin reductase 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit 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
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus GTP binding nuclear protein Ran 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii thioredoxin 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 berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Thioredoxin 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
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax thioredoxin reductase, putative 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis thioredoxin 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
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 540 aa 23.3 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) carboxylesterase 0.1764 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0045 0.0007
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0043 0.0274
Schistosoma mansoni memapsin-2 (A01 family) 0.0956 0.5349 0.5331
Plasmodium vivax glutathione reductase, putative 0.0103 0.043 1
Brugia malayi Carboxylesterase family protein 0.0298 0.1554 0.1522
Loa Loa (eye worm) hypothetical protein 0.0298 0.1554 0.1522
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Plasmodium vivax plasmepsin IV, putative 0.0038 0.0059 0.0528
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0045 0.0007
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0043 0.0117
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0298 0.1554 0.1522
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.1339 0.8576
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0045 0.0008
Leishmania major trypanothione reductase 0.0103 0.043 1
Plasmodium falciparum thioredoxin reductase 0.0036 0.0043 0.0117
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0038 0.0059 0.0377
Echinococcus granulosus para nitrobenzyl esterase 0.0298 0.1554 0.1523
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0043 0.0117
Onchocerca volvulus 0.0286 0.1486 0.9544
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.0433 0.0397
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0298 0.1554 0.1522
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0043 0.0005
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Toxoplasma gondii aspartyl protease 0.0038 0.0059 0.0528
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.043 1
Brugia malayi aspartic protease BmAsp-2, identical 0.0038 0.0059 0.0021
Plasmodium vivax aspartyl proteinase, putative 0.0038 0.0059 0.0528
Toxoplasma gondii thioredoxin reductase 0.0103 0.043 1
Onchocerca volvulus 0.0298 0.1554 1
Onchocerca volvulus 0.0038 0.0059 0.009
Toxoplasma gondii aspartyl protease ASP1 0.0038 0.0059 0.0528
Mycobacterium tuberculosis Probable reductase 0.0234 0.1188 0.7579
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.1188 0.7579
Loa Loa (eye worm) hypothetical protein 0.0298 0.1554 0.1522
Brugia malayi aspartic protease BmAsp-1, identical 0.0038 0.0059 0.0021
Treponema pallidum NADH oxidase 0.0036 0.0043 0.5
Echinococcus granulosus carboxylesterase 5A 0.1764 1 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.1188 0.7579
Echinococcus granulosus snurportin 1 0.0372 0.1979 0.1949
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0043 0.099
Echinococcus multilocularis para nitrobenzyl esterase 0.0298 0.1554 0.1522
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0043 0.0117
Brugia malayi Carboxylesterase family protein 0.1764 1 1
Plasmodium falciparum plasmepsin I 0.0038 0.0059 0.0528
Loa Loa (eye worm) hypothetical protein 0.0298 0.1554 0.1522
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0043 0.099
Entamoeba histolytica hypothetical protein 0.0028 0 0.5
Schistosoma mansoni BC026374 protein (S09 family) 0.0298 0.1554 0.1522
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0298 0.1554 0.1522
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.1339 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1764 1 1
Plasmodium falciparum plasmepsin II 0.0038 0.0059 0.0528
Loa Loa (eye worm) hypothetical protein 0.0038 0.0059 0.0021
Brugia malayi hypothetical protein 0.0298 0.1554 0.1522
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0045 0.0007
Brugia malayi glutathione reductase 0.0103 0.043 0.0393
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0043 0.0117
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0045 0.0181
Loa Loa (eye worm) aspartyl protease 6 0.0038 0.0059 0.0021
Toxoplasma gondii aspartyl protease ASP3 0.0038 0.0059 0.0528
Schistosoma mansoni acetylcholinesterase 0.0298 0.1554 0.1522
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Plasmodium falciparum plasmepsin V 0.0038 0.0059 0.0528
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0043 0.0117
Plasmodium vivax plasmepsin V, putative 0.0038 0.0059 0.0528
Plasmodium falciparum plasmepsin VII 0.0038 0.0059 0.0528
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Echinococcus multilocularis acetylcholinesterase 0.1764 1 1
Plasmodium vivax aspartyl protease, putative 0.0038 0.0059 0.0528
Plasmodium vivax aspartyl protease, putative 0.0038 0.0059 0.0528
Onchocerca volvulus 0.0038 0.0059 0.009
Plasmodium vivax aspartyl protease, putative 0.0038 0.0059 0.0528
Loa Loa (eye worm) acetylcholinesterase 1 0.1764 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0298 0.1554 1
Loa Loa (eye worm) hypothetical protein 0.1764 1 1
Echinococcus multilocularis snurportin 1 0.0372 0.1979 0.1949
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0038 0.0059 0.0528
Onchocerca volvulus 0.0298 0.1554 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0043 0.099
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.1339 0.8576
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.0433 0.0397
Brugia malayi hypothetical protein 0.0038 0.0059 0.0021
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1486 0.9557
Loa Loa (eye worm) hypothetical protein 0.0036 0.0045 0.0007
Schistosoma mansoni cathepsin D (A01 family) 0.0038 0.0059 0.0021
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0298 0.1554 0.1523
Plasmodium falciparum plasmepsin IV 0.0038 0.0059 0.0528
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Loa Loa (eye worm) hypothetical protein 0.0298 0.1554 0.1522
Trypanosoma brucei trypanothione reductase 0.0103 0.043 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0298 0.1554 1
Brugia malayi hypothetical protein 0.0038 0.0059 0.0021
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0038 0.0059 0.0021
Plasmodium falciparum plasmepsin IX 0.0038 0.0059 0.0528
Schistosoma mansoni gliotactin 0.0298 0.1554 0.1522
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.1188 0.7579
Brugia malayi Thioredoxin reductase 0.0103 0.043 0.0393
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0043 0.0117
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0038 0.0059 0.0021
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Echinococcus granulosus neuroligin 0.0298 0.1554 0.1523
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0043 0.0117
Brugia malayi Carboxylesterase family protein 0.0298 0.1554 0.1522
Loa Loa (eye worm) hypothetical protein 0.0038 0.0059 0.0021
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.1339 0.8576
Plasmodium vivax aspartyl proteinase, putative 0.0038 0.0059 0.0528
Loa Loa (eye worm) hypothetical protein 0.0298 0.1554 0.1522
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0043 0.0005
Plasmodium vivax SET domain protein, putative 0.0036 0.0045 0.0181
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.1979 0.1949
Loa Loa (eye worm) hypothetical protein 0.1764 1 1
Loa Loa (eye worm) glutathione reductase 0.0103 0.043 0.0393
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.043 0.0393
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0043 0.5
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0043 0.5
Echinococcus multilocularis acetylcholinesterase 0.1764 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0043 0.0117
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0043 0.0274
Mycobacterium tuberculosis Carboxylesterase LipT 0.0298 0.1554 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.043 0.256
Echinococcus granulosus importin subunit beta 1 0.0035 0.0038 0.0001
Plasmodium falciparum glutathione reductase 0.0103 0.043 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0298 0.1554 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0043 0.5
Brugia malayi Carboxylesterase family protein 0.0298 0.1554 0.1522
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Plasmodium falciparum plasmepsin VI 0.0038 0.0059 0.0528
Brugia malayi Eukaryotic aspartyl protease family protein 0.0038 0.0059 0.0021
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0045 0.0007
Echinococcus multilocularis neuroligin 0.0298 0.1554 0.1522
Echinococcus granulosus acetylcholinesterase 0.1764 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0043 0.0117
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0045 0.0007
Brugia malayi Pre-SET motif family protein 0.0251 0.1286 0.1252
Brugia malayi Carboxylesterase family protein 0.0298 0.1554 0.1522
Loa Loa (eye worm) hypothetical protein 0.0298 0.1554 0.1522
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.1188 0.7579
Loa Loa (eye worm) hypothetical protein 0.0298 0.1554 0.1522
Loa Loa (eye worm) hypothetical protein 0.0038 0.0059 0.0021
Echinococcus granulosus BC026374 protein S09 family 0.0298 0.1554 0.1523
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0043 0.5
Brugia malayi Pre-SET motif family protein 0.0036 0.0045 0.0007
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.043 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0298 0.1554 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Plasmodium falciparum thioredoxin reductase 0.0103 0.043 1
Schistosoma mansoni hypothetical protein 0.0372 0.1979 0.1949
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Echinococcus multilocularis BC026374 protein (S09 family) 0.0298 0.1554 0.1522
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0043 0.099
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0045 0.0007
Loa Loa (eye worm) carboxylesterase 0.0298 0.1554 0.1522
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.1188 0.7579
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0043 0.099
Schistosoma mansoni neuroligin 3 (S09 family) 0.0298 0.1554 0.1522
Onchocerca volvulus 0.0298 0.1554 1
Brugia malayi Pepsin A precursor 0.0038 0.0059 0.0021
Echinococcus granulosus acetylcholinesterase 0.1764 1 1
Plasmodium falciparum plasmepsin X 0.0038 0.0059 0.0528
Onchocerca volvulus 0.0298 0.1554 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0298 0.1554 0.1522
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1286 0.1252
Plasmodium falciparum plasmepsin III 0.0038 0.0059 0.0528
Echinococcus multilocularis carboxylesterase 5A 0.1764 1 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0043 0.0117
Plasmodium falciparum glutathione reductase 0.0036 0.0043 0.0117
Brugia malayi RNA, U transporter 1 0.0099 0.0408 0.0371
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0038 0.0059 0.0021
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0043 0.0005
Schistosoma mansoni cathepsin D (A01 family) 0.0038 0.0059 0.0021
Trichomonas vaginalis spcc417.12 protein, putative 0.0298 0.1554 1
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0038 0.0059 0.0528
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0038 0.0059 0.0021
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0043 0.099
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0038 0.0059 0.0021
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0043 0.0005
Onchocerca volvulus 0.0298 0.1554 1
Loa Loa (eye worm) carboxylesterase 0.0298 0.1554 0.1522
Plasmodium falciparum plasmepsin VIII, putative 0.0038 0.0059 0.0528

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 12.5893 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) 16.3601 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 20.7865 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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