Detailed information for compound 1323419

Basic information

Technical information
  • TDR Targets ID: 1323419
  • Name: 3-(5-bromofuran-2-yl)-N-[(4-methylphenyl)meth yl]prop-2-enamide
  • MW: 320.181 | Formula: C15H14BrNO2
  • H donors: 1 H acceptors: 1 LogP: 3.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1ccc(o1)Br)NCc1ccc(cc1)C
  • InChi: 1S/C15H14BrNO2/c1-11-2-4-12(5-3-11)10-17-15(18)9-7-13-6-8-14(16)19-13/h2-9H,10H2,1H3,(H,17,18)/b9-7+
  • InChiKey: MXCPSRWEMZBKLR-VQHVLOKHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (E)-3-(5-bromofuran-2-yl)-N-[(4-methylphenyl)methyl]prop-2-enamide
  • 3-(5-bromo-2-furyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
  • (E)-3-(5-bromo-2-furyl)-N-[(4-methylphenyl)methyl]prop-2-enamide
  • (E)-3-(5-bromo-2-furyl)-N-(4-methylbenzyl)acrylamide
  • 3-(5-bromo-2-furyl)-N-(4-methylbenzyl)acrylamide
  • T5753529
  • MLS000389195
  • SMR000255468
  • ZINC03554469

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
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
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Leishmania major trypanothione reductase 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum MGC84926 protein, related 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 braziliensis trypanothione 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
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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Babesia bovis thiodoxin 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
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative 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
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum 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 %
Leishmania major 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 brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
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 22.7 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0038 0.0058
Brugia malayi Tyrosine-protein kinase abl-1 0.0125 0.3588 0.4739
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0038 0.005
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0038 0.0058
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0017 0.0184 0.0284
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0038 0.005
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0014 0.0093 0.0144
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0234 0.704 0.8795
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0017 0.0184 0.0284
Schistosoma mansoni tyrosine kinase 0.0213 0.6371 0.6371
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0789 0.0789
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0775 0.0895
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2892 0.2774
Mycobacterium ulcerans beta-lactamase 0.0043 0.1023 0.2085
Leishmania major hypothetical protein, conserved 0.0043 0.1023 0.1171
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Brugia malayi steroid hormone receptor 0.0012 0.0038 0.005
Onchocerca volvulus 0.0286 0.8666 1
Toxoplasma gondii ABC1 family protein 0.0043 0.1023 0.1171
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.1963 0.1557
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.1023 0.0325
Loa Loa (eye worm) hypothetical protein 0.0014 0.0093 0.0123
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0017 0.0184 0.0284
Brugia malayi Protein kinase domain containing protein 0.0014 0.0093 0.0123
Onchocerca volvulus 0.0043 0.1023 0.1181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0038 0.005
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.704 0.8211
Echinococcus multilocularis c src tyrosine kinase 0.0017 0.0184 0.0284
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0775 0.0775
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0038 0.0043
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0747 0.1156
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0038 0.0058
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0775 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0038 0.0058
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.1023 0.0325
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0789 0.0789
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Onchocerca volvulus 0.0028 0.0523 0.0604
Onchocerca volvulus 0.0043 0.1023 0.1181
Mycobacterium tuberculosis Conserved protein 0.0043 0.1023 0.0325
Loa Loa (eye worm) hypothetical protein 0.0043 0.1023 0.1351
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0014 0.0093 0.0144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0038 0.005
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0038 0.005
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1023 0.1181
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1023 0.1181
Loa Loa (eye worm) hypothetical protein 0.0043 0.1023 0.1351
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.1963 0.5614
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0038 0.0043
Brugia malayi Protein kinase domain containing protein 0.0242 0.7267 0.9597
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1963 0.1963
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0038 0.0038
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0038 0.005
Echinococcus granulosus tyrosine protein kinase Blk 0.0014 0.0093 0.0144
Loa Loa (eye worm) hypothetical protein 0.0043 0.1023 0.1351
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.7572 1
Schistosoma mansoni tyrosine kinase 0.0017 0.0184 0.0184
Echinococcus granulosus tyrosine protein kinase Src42A 0.0017 0.0184 0.0284
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0017 0.0184 0.0284
Echinococcus granulosus tyrosine kinase 0.0014 0.0093 0.0144
Schistosoma mansoni tyrosine kinase 0.0014 0.0093 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0038 0.005
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.704 0.8211
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7865 0.9291
Loa Loa (eye worm) hypothetical protein 0.0088 0.2436 0.3217
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.704 0.8211
Loa Loa (eye worm) TK protein kinase 0.0014 0.0093 0.0123
Echinococcus granulosus tyrosine protein kinase Lyn 0.0017 0.0184 0.0284
Brugia malayi Protein kinase domain containing protein 0.0014 0.0093 0.0123
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0017 0.0184 0.0284
Loa Loa (eye worm) hypothetical protein 0.0028 0.0523 0.0691
Loa Loa (eye worm) hypothetical protein 0.0043 0.1023 0.1351
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0038 0.005
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.704 0.8211
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Brugia malayi Tyrosine-protein kinase abl-1 0.0094 0.262 0.346
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0017 0.0184 0.0284
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0038 0.0058
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1023 0.1023
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0775 0.5
Mycobacterium tuberculosis Conserved protein 0.0043 0.1023 0.0325
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0775 0.1199
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0038 0.0058
Plasmodium falciparum glutathione reductase 0.0103 0.2892 1
Onchocerca volvulus 0.0014 0.0093 0.0107
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1023 0.1181
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0038 0.005
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0038 0.005
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.1023 0.0325
Schistosoma mansoni tyrosine kinase 0.0017 0.0184 0.0184
Brugia malayi Protein kinase domain containing protein 0.0014 0.0093 0.0123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0038 0.0058
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Brugia malayi Thioredoxin reductase 0.0103 0.2892 0.3819
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Onchocerca volvulus 0.0014 0.0093 0.0107
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0038 0.005
Echinococcus granulosus tyrosine protein kinase Fyn 0.0017 0.0184 0.0284
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2892 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0014 0.0093 0.0144
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0038 0.0038
Plasmodium vivax SET domain protein, putative 0.0036 0.0789 0.0064
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.1963 0.3038
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0038 0.005
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0789 0.0789
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0038 0.005
Leishmania major trypanothione reductase 0.0103 0.2892 1
Echinococcus granulosus MAM 0.0028 0.0523 0.0809
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0775 0.0895
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0038 0.005
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1023 0.2085
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1023 0.1171
Onchocerca volvulus 0.0014 0.0093 0.0107
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0789 0.1221
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0017 0.0184 0.0284
Brugia malayi ecdysteroid receptor 0.0012 0.0038 0.005
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0038 0.005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1023 0.1351
Loa Loa (eye worm) SRC-1 0.0017 0.0184 0.0243
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0038 0.0058
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0477 0.0631
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2892 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0038 0.0038
Echinococcus granulosus tyrosine protein kinase Srms 0.0014 0.0093 0.0144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0038 0.0038
Onchocerca volvulus 0.0036 0.0789 0.091
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.1963 0.1963
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0038 0.0058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1963 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0038 0.005
Echinococcus granulosus tyrosine protein kinase Fyn 0.0017 0.0184 0.0284
Brugia malayi beta-lactamase 0.0043 0.1023 0.1351
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0038 0.005
Echinococcus multilocularis tyrosine kinase 0.0014 0.0093 0.0144
Brugia malayi beta-lactamase family protein 0.0043 0.1023 0.1351
Brugia malayi Pre-SET motif family protein 0.0251 0.7572 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1023 0.1171
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0038 0.0058
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0216 0.6464 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7865 0.9291
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0038 0.0038
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1023 0.2085
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.1963 0.3038
Echinococcus granulosus tyrosine protein kinase Src64B 0.0017 0.0184 0.0284
Echinococcus granulosus tyrosine protein kinase Fyn 0.0017 0.0184 0.0284
Echinococcus granulosus tyrosine protein kinase shark 0.0014 0.0093 0.0144
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.704 0.8211
Brugia malayi hypothetical protein 0.0014 0.0093 0.0123
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0789 0.1221
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0017 0.0184 0.0284
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0017 0.0184 0.0284
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Loa Loa (eye worm) hypothetical protein 0.0043 0.1023 0.1351
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0038 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0038 0.005
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0017 0.0184 0.0284
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1023 0.1583
Brugia malayi Protein kinase domain containing protein 0.0014 0.0093 0.0123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1023 0.1023
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Brugia malayi Protein kinase domain containing protein 0.0014 0.0093 0.0123
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1023 0.1171
Trypanosoma brucei trypanothione reductase 0.0103 0.2892 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0038 0.0043
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0017 0.0184 0.0284
Echinococcus multilocularis tyrosine protein kinase Abl 0.0094 0.262 0.4053
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0038 0.0058
Onchocerca volvulus 0.0014 0.0093 0.0107
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0038 0.0058
Schistosoma mansoni tyrosine kinase 0.0017 0.0184 0.0184
Loa Loa (eye worm) hypothetical protein 0.0036 0.0789 0.1042
Brugia malayi beta-lactamase family protein 0.0043 0.1023 0.1351
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1023 0.1171
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0038 0.0058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1963 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.1023 0.1351
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0038 0.0038
Mycobacterium tuberculosis Conserved protein 0.0043 0.1023 0.0325
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0038 0.0058
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7865 0.9291
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0038 0.005
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1023 0.1181
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.1963 0.5614
Echinococcus multilocularis MAM 0.0028 0.0523 0.0809
Brugia malayi glutathione reductase 0.0103 0.2892 0.3819
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.1023 0.0325
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0038 0.0038
Plasmodium falciparum thioredoxin reductase 0.0103 0.2892 1
Brugia malayi hypothetical protein 0.0028 0.0523 0.0691
Toxoplasma gondii thioredoxin reductase 0.0103 0.2892 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0789 0.1221
Onchocerca volvulus 0.0012 0.0038 0.0043
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0038 0.0058
Plasmodium vivax glutathione reductase, putative 0.0103 0.2892 1
Schistosoma mansoni hypothetical protein 0.0028 0.0523 0.0523
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0775 0.5
Onchocerca volvulus 0.0028 0.0523 0.0604
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0038 0.0038
Mycobacterium ulcerans lipase LipD 0.0043 0.1023 0.2085
Onchocerca volvulus 0.0043 0.1023 0.1181
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.1023 0.0325
Brugia malayi SH2 domain containing protein 0.0014 0.0093 0.0123
Schistosoma mansoni serine/threonine protein kinase 0.0014 0.0091 0.0091
Brugia malayi SH2 domain containing protein 0.0014 0.0093 0.0123
Echinococcus granulosus tyrosine kinase 0.0014 0.0093 0.0144
Mycobacterium ulcerans hypothetical protein 0.0043 0.1023 0.2085
Echinococcus multilocularis tyrosine protein kinase Srms 0.0014 0.0093 0.0144
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0014 0.0093 0.0144
Echinococcus multilocularis tyrosine protein kinase shark 0.0014 0.0093 0.0144
Loa Loa (eye worm) hypothetical protein 0.0028 0.0523 0.0691
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.8405 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.1023 0.1351
Echinococcus granulosus c src tyrosine kinase 0.0017 0.0184 0.0284
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1023 0.1181
Loa Loa (eye worm) glutathione reductase 0.0103 0.2892 0.3819
Loa Loa (eye worm) TK/ALK protein kinase 0.0242 0.7264 0.9594
Loa Loa (eye worm) hypothetical protein 0.0203 0.6047 0.7987
Brugia malayi SRC-1 0.0017 0.0184 0.0243
Brugia malayi nuclear receptor NHR-88 0.0012 0.0038 0.005
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7865 1
Brugia malayi nuclear hormone receptor 0.0012 0.0038 0.005
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.1023 0.0325
Onchocerca volvulus 0.0014 0.0093 0.0107
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0017 0.0184 0.0284
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.1963 1
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0014 0.0093 1
Mycobacterium tuberculosis Probable reductase 0.0234 0.704 0.8211
Brugia malayi protein-tyrosine kinase 0.0014 0.0093 0.0123
Trichomonas vaginalis esterase, putative 0.0043 0.1023 0.1181
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1023 0.1351
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0789 0.0064
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0017 0.0184 0.0184
Schistosoma mansoni tyrosine kinase 0.0017 0.0184 0.0184
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0038 0.0038
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Echinococcus granulosus tyrosine protein kinase ABL1 0.0216 0.6464 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0775 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0789 0.0789
Loa Loa (eye worm) hypothetical protein 0.0028 0.0523 0.0691
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2911 0.4503
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0038 0.005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0038 0.005
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0017 0.0184 0.0284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0038 0.005
Treponema pallidum NADH oxidase 0.0036 0.0775 0.5
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Schistosoma mansoni hypothetical protein 0.0028 0.0523 0.0523
Loa Loa (eye worm) TK/ABL protein kinase 0.0216 0.6464 0.8537
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0038 0.0058
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0038 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0038 0.005
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8666 1
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0014 0.0093 0.0144
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0775 0.1024
Schistosoma mansoni tyrosine kinase 0.0014 0.0093 0.0093
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2892 0.3819
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Schistosoma mansoni coup transcription factor 0.0012 0.0038 0.0038
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0038 0.005
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0038 0.0058
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2911 0.4503
Loa Loa (eye worm) TK/FER protein kinase 0.0014 0.0093 0.0123
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0775 0.1199
Onchocerca volvulus 0.0014 0.0093 0.0107
Brugia malayi Pre-SET motif family protein 0.0036 0.0789 0.1042
Loa Loa (eye worm) hypothetical protein 0.0012 0.0038 0.005
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.1023 0.0325
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1023 0.1583
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0477 0.0631

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.631 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 1.4125 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) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 3.5481 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) = 5.6234 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 8.9125 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) 17.7828 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) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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