Detailed information for compound 1268458

Basic information

Technical information
  • TDR Targets ID: 1268458
  • Name: (E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino] -2-oxoethyl]-3-furan-2-ylprop-2-enamide
  • MW: 338.361 | Formula: C18H18N4O3
  • H donors: 3 H acceptors: 3 LogP: 1.63 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CNC(=O)/C=C/c1ccco1)NCCc1nc2c([nH]1)cccc2
  • InChi: 1S/C18H18N4O3/c23-17(8-7-13-4-3-11-25-13)20-12-18(24)19-10-9-16-21-14-5-1-2-6-15(14)22-16/h1-8,11H,9-10,12H2,(H,19,24)(H,20,23)(H,21,22)/b8-7+
  • InChiKey: HQFGYEIPFKYZQB-BQYQJAHWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-3-furan-2-ylprop-2-enamide
  • (E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxo-ethyl]-3-(2-furyl)prop-2-enamide
  • N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxo-ethyl]-3-(2-furyl)prop-2-enamide
  • (E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-3-(2-furyl)prop-2-enamide
  • N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethyl]-3-(2-furyl)prop-2-enamide
  • (E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-keto-ethyl]-3-(2-furyl)acrylamide
  • N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-keto-ethyl]-3-(2-furyl)acrylamide
  • (E)-N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxo-ethyl]-3-furan-2-yl-prop-2-enamide
  • N-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxo-ethyl]-3-furan-2-yl-prop-2-enamide
  • SMR000439737
  • ZINC01859087
  • STOCK4S-53854
  • (E)-N-{[2-(1H-Benzoimidazol-2-yl)-ethylcarbamoyl]-methyl}-3-furan-2-yl-acrylamide
  • MLS000762739

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi 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
Plasmodium berghei glutathione 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
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus 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
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis 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
Trypanosoma cruzi trypanothione 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
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin 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 mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis 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
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Bile acid receptor homolog 0.0172 0.3367 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0091 0.1703 0.169
Echinococcus granulosus nuclear receptor nhr 48 0.0081 0.1503 0.149
Trypanosoma brucei unspecified product 0.0023 0.0318 0.117
Schistosoma mansoni DNA polymerase eta 0.0023 0.0318 0.0303
Loa Loa (eye worm) nuclear receptor NHR-67 0.0081 0.1503 0.4365
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0081 0.1503 0.4369
Echinococcus granulosus cpg binding protein 0.0037 0.0593 0.0578
Schistosoma mansoni nuclear hormone receptor 0.0081 0.1503 0.149
Schistosoma mansoni nuclear receptor 0.0081 0.1503 0.149
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0318 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0172 0.3367 0.3357
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0318 0.117
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.1478 0.1465
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0778 0.2174
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0172 0.3367 0.3357
Echinococcus multilocularis dna polymerase eta 0.0023 0.0318 0.0303
Echinococcus multilocularis nuclear receptor nhr 48 0.0081 0.1503 0.149
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0172 0.3367 0.3357
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0318 0.079
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0081 0.1503 0.149
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0172 0.3367 0.3357
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0318 0.0782
Schistosoma mansoni cpg binding protein 0.0037 0.0593 0.0578
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0081 0.1503 0.149
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0318 0.079
Brugia malayi hypothetical protein 0.0081 0.1503 0.4369
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0318 0.0303
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0172 0.3367 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0091 0.1703 0.169
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0169 0.0038
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0164 0.0149
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0059 0.0044
Toxoplasma gondii thioredoxin reductase 0.0046 0.0778 0.5985
Entamoeba histolytica hypothetical protein 0.0043 0.0732 0.357
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0732 0.0718
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0172 0.3367 0.3357
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0318 0.117
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0172 0.3367 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0172 0.3367 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0172 0.3367 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0552 0.149
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1478 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0172 0.3367 0.3357
Brugia malayi Nuclear hormone receptor E75 0.0081 0.1503 0.4369
Loa Loa (eye worm) nuclear hormone receptor 0.0081 0.1503 0.4365
Schistosoma mansoni steroid hormone receptor ad4bp 0.0172 0.3367 0.3357
Brugia malayi nuclear receptor NHR-88 0.0172 0.3367 1
Plasmodium vivax glutathione reductase, putative 0.0046 0.0778 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0172 0.3367 0.3357
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0172 0.3367 1
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1478 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0318 0.117
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0172 0.3367 0.3357
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0172 0.3367 0.3357
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0318 0.0303
Brugia malayi hypothetical protein 0.0091 0.1703 0.4972
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.2221 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0318 0.117
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0164 0.0325
Brugia malayi Steroid receptor seven-up type 2 0.0172 0.3367 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0172 0.3367 1
Brugia malayi Nuclear hormone receptor E75 0.0081 0.1503 0.4369
Brugia malayi hypothetical protein 0.0081 0.1503 0.4369
Loa Loa (eye worm) hypothetical protein 0.0091 0.1703 0.4968
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0172 0.3367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0778 0.4673
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0081 0.1503 0.149
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0732 0.0718
Echinococcus granulosus dna polymerase kappa 0.0023 0.0318 0.0303
Echinococcus granulosus Nuclear hormone receptor HR96 0.0081 0.1503 0.149
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0318 0.117
Brugia malayi ecdysone receptor 0.0081 0.1503 0.4369
Treponema pallidum NADH oxidase 0.0016 0.0164 0.5
Echinococcus granulosus thyroid hormone receptor alpha 0.0081 0.1503 0.149
Brugia malayi hypothetical protein 0.0091 0.1703 0.4972
Mycobacterium tuberculosis Probable reductase 0.0104 0.1982 0.8837
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Echinococcus multilocularis FTZ F1 alpha 0.0172 0.3367 0.3357
Brugia malayi Thioredoxin reductase 0.0046 0.0778 0.218
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0172 0.3367 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Schistosoma mansoni hypothetical protein 0.0494 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Leishmania major DNA polymerase eta, putative 0.0023 0.0318 0.117
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0091 0.1703 0.4968
Entamoeba histolytica hypothetical protein 0.0043 0.0732 0.357
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Schistosoma mansoni nuclear receptor 0.0081 0.1503 0.149
Schistosoma mansoni RAR-like nuclear receptor 0.0172 0.3367 0.3357
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0172 0.3367 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0318 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.1982 0.8837
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0172 0.3367 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0318 0.0303
Brugia malayi nuclear hormone receptor family member nhr-6 0.0081 0.1503 0.4369
Trypanosoma brucei unspecified product 0.0016 0.0169 0.0038
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0318 0.0303
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0318 0.0303
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0172 0.3367 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0081 0.1503 0.149
Schistosoma mansoni cpg binding protein 0.0035 0.0552 0.0537
Brugia malayi steroid hormone receptor 0.0172 0.3367 1
Brugia malayi nuclear receptor RXR 0.0081 0.1503 0.4369
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0172 0.3367 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0172 0.3367 0.3357
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0172 0.3367 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0732 0.0718
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0169 0.0038
Leishmania major trypanothione reductase 0.0046 0.0778 0.4673
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Schistosoma mansoni thyroid hormone receptor 0.0172 0.3367 0.3357
Plasmodium falciparum thioredoxin reductase 0.0046 0.0778 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0169 0.0038
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Trypanosoma brucei trypanothione reductase 0.0046 0.0778 0.4673
Brugia malayi conserved hypotetical protein 0.0081 0.1503 0.4369
Onchocerca volvulus Protein ultraspiracle homolog 0.0172 0.3367 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0172 0.3367 0.3357
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0172 0.3367 0.3357
Onchocerca volvulus 0.0081 0.1503 0.3378
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0081 0.1503 0.149
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0081 0.1503 0.4365
Schistosoma mansoni cpg binding protein 0.0037 0.0593 0.0578
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Brugia malayi nuclear hormone receptor 0.0081 0.1503 0.4369
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Entamoeba histolytica hypothetical protein 0.0043 0.0732 0.357
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0164 0.0149
Brugia malayi nuclear receptor NHR-67 0.0081 0.1503 0.4369
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0318 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0081 0.1503 0.149
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0164 0.5161
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0164 0.5161
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0172 0.3367 1
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.1478 0.4295
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0318 0.117
Echinococcus granulosus ecdysone induced protein 78C 0.0172 0.3367 0.3357
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.1478 0.1465
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.2221 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0593 0.0578
Schistosoma mansoni hypothetical protein 0.0043 0.0732 0.0718
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0172 0.3367 1
Brugia malayi ecdysteroid receptor 0.0172 0.3367 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0318 0.0303
Brugia malayi Nuclear hormone receptor-like 1 0.0172 0.3367 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0172 0.3367 1
Entamoeba histolytica hypothetical protein 0.0043 0.0732 0.357
Brugia malayi nuclear receptor NHR-88 0.0081 0.1503 0.4369
Loa Loa (eye worm) hypothetical protein 0.0091 0.1703 0.4968
Onchocerca volvulus 0.0081 0.1503 0.3378
Brugia malayi nuclear receptor RXR 0.0091 0.1703 0.4972
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.1478 0.429
Brugia malayi orphan nuclear receptor NR2E1 0.0081 0.1503 0.4369
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0059 0.0044
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0318 0.0748
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Loa Loa (eye worm) hypothetical protein 0.0023 0.0318 0.0782
Schistosoma mansoni coup transcription factor 0.0172 0.3367 0.3357
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0081 0.1503 0.149
Echinococcus granulosus FTZ F1 alpha 0.0172 0.3367 0.3357
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.1982 0.8837
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0172 0.3367 0.3357
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.1982 0.8837
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.1982 0.8837
Echinococcus granulosus Nuclear hormone receptor HR96 0.0081 0.1503 0.149
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0081 0.1503 0.3378
Loa Loa (eye worm) DR-78 0.0081 0.1503 0.4365
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0172 0.3367 0.3357
Brugia malayi hypothetical protein 0.0043 0.0732 0.2041
Brugia malayi glutathione reductase 0.0046 0.0778 0.218
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.1478 1
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0778 1
Brugia malayi Nuclear hormone receptor-like 1 0.0091 0.1703 0.4972
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0791 0.0776
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Brugia malayi photoreceptor-specific nuclear receptor 0.0172 0.3367 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0172 0.3367 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0791 0.0776
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0788 0.0773
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0078 0.0064
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0091 0.1703 0.169
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0172 0.3367 0.3357
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0172 0.3367 1
Brugia malayi Nuclear hormone receptor-like 1 0.0091 0.1703 0.4972
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0318 0.117
Loa Loa (eye worm) hypothetical protein 0.0091 0.1703 0.4968
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0318 0.0748
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0172 0.3367 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Schistosoma mansoni retinoic acid receptor RXR 0.0172 0.3367 0.3357
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0172 0.3367 0.3357
Trypanosoma brucei unspecified product 0.0016 0.0169 0.0038
Loa Loa (eye worm) glutathione reductase 0.0046 0.0778 0.2174
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.2221 1
Schistosoma mansoni nuclear hormone receptor 0.0081 0.1503 0.149
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0164 0.5
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.1478 0.1465
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0778 0.2985
Echinococcus multilocularis ecdysone induced protein 78C 0.0172 0.3367 0.3357
Brugia malayi nuclear hormone receptor family member odr-7 0.0081 0.1503 0.4369
Schistosoma mansoni nuclear hormone receptor 0.0172 0.3367 0.3357
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0164 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0172 0.3367 0.3357
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0318 0.117
Loa Loa (eye worm) hypothetical protein 0.0091 0.1703 0.4968
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0081 0.1503 0.3378
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0091 0.1703 0.169
Brugia malayi tailless protein 0.0081 0.1503 0.4369
Brugia malayi CXXC zinc finger family protein 0.0035 0.0552 0.1497
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0164 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0172 0.3367 0.3357
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0172 0.3367 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0172 0.3367 1
Leishmania major DNA polymerase kappa, putative 0.0023 0.0318 0.117
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.1478 1
Schistosoma mansoni thyroid hormone receptor 0.0172 0.3367 0.3357
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0081 0.1503 0.149
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0318 1
Schistosoma mansoni zinc finger protein 0.0081 0.1503 0.149
Schistosoma mansoni nuclear receptor nhr-48 0.0081 0.1503 0.149
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0081 0.1503 0.149
Brugia malayi nuclear hormone receptor 0.0172 0.3367 1
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0788 0.0773
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0318 0.117
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.119 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.1703 0.4968
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1352 0.1338
Loa Loa (eye worm) hypothetical protein 0.0172 0.3367 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0318 0.117
Onchocerca volvulus 0.0172 0.3367 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0318 0.117
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0078 0.0064
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0172 0.3367 0.3357
Loa Loa (eye worm) hypothetical protein 0.0081 0.1503 0.4365
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0164 0.0149
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.1982 0.8837
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.1478 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0318 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0172 0.3367 0.3357
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.2221 1
Loa Loa (eye worm) steroid hormone receptor 0.0172 0.3367 1
Plasmodium falciparum glutathione reductase 0.0046 0.0778 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8275 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 3.1623 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 (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 29.9349 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 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 Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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