Detailed information for compound 1452241

Basic information

Technical information
  • TDR Targets ID: 1452241
  • Name: N,N-dibutyl-1-di(phenyl)phosphorylcyclobutane -1-carboxamide
  • MW: 411.517 | Formula: C25H34NO2P
  • H donors: 0 H acceptors: 2 LogP: 5.23 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCN(C(=O)C1(CCC1)P(=O)(c1ccccc1)c1ccccc1)CCCC
  • InChi: 1S/C25H34NO2P/c1-3-5-20-26(21-6-4-2)24(27)25(18-13-19-25)29(28,22-14-9-7-10-15-22)23-16-11-8-12-17-23/h7-12,14-17H,3-6,13,18-21H2,1-2H3
  • InChiKey: OJPZJHXXFYOIDF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N,N-dibutyl-1-di(phenyl)phosphoryl-cyclobutane-1-carboxamide
  • N,N-dibutyl-1-di(phenyl)phosphoryl-1-cyclobutanecarboxamide
  • STOCK1S-81963
  • MLS001047269
  • SMR000427642
  • 1-(Diphenyl-phosphinoyl)-cyclobutanecarboxylic acid dibutylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
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
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Glutathione reductase, 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione 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
Neospora caninum MGC84926 protein, related 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
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0219 0.0185
Brugia malayi Thioredoxin reductase 0.0057 0.1773 0.1773
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1773 0.1713
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0073 0.0073
Echinococcus granulosus tar DNA binding protein 0.0198 0.7637 0.964
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1773 0.2167
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4821 0.8837
Schistosoma mansoni hypothetical protein 0.0205 0.792 1
Schistosoma mansoni smad1 5 8 and 0.0017 0.0117 0.0055
Brugia malayi MH1 domain containing protein 0.0017 0.0117 0.0117
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.7223 0.9112
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1541 0.1541
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.5427 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1587 0.8799
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4821 0.8837
Schistosoma mansoni hypothetical protein 0.0205 0.792 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0255 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0198 0.7637 0.7637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.7223 0.9112
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0024 0.0378 0.0388
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.5427 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.1773 0.1713
Brugia malayi MH2 domain containing protein 0.0017 0.0117 0.0117
Loa Loa (eye worm) Smad1 0.0017 0.0117 0.0044
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0341 0.0341
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0117 0.0055
Schistosoma mansoni ap endonuclease 0.0023 0.0341 0.034
Schistosoma mansoni smad 0.0017 0.0117 0.0055
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0341 0.0269
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0341 0.0784
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0341 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0188 0.7223 0.9112
Loa Loa (eye worm) RNA binding protein 0.0198 0.7637 0.762
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.1587 0.8799
Plasmodium vivax glutathione reductase, putative 0.0057 0.1773 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0024 0.0378 0.0388
Brugia malayi hypothetical protein 0.0053 0.1587 0.1587
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0341 0.034
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1541 0.1541
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0117 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.7223 0.9112
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0117 0.0055
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0341 0.0784
Echinococcus granulosus Smad4 0.0017 0.0117 0.0055
Brugia malayi RNA binding protein 0.0198 0.7637 0.7637
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.7223 0.9112
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.1587 0.8799
Brugia malayi MH2 domain containing protein 0.0017 0.0117 0.0117
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0341 0.0784
Schistosoma mansoni tar DNA-binding protein 0.0198 0.7637 0.964
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0341 0.034
Echinococcus multilocularis smad 0.0017 0.0117 0.0055
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.5427 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0341 0.0784
Loa Loa (eye worm) hypothetical protein 0.019 0.7324 0.7304
Schistosoma mansoni smad1 5 8 and 0.0017 0.0117 0.0055
Brugia malayi hypothetical protein 0.0034 0.081 0.081
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0219 0.0185
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0341 0.0234
Brugia malayi N-terminal motif family protein 0.019 0.7324 0.7324
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1587 0.8799
Schistosoma mansoni ap endonuclease 0.0023 0.0341 0.034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0188 0.7223 0.9112
Brugia malayi TAR-binding protein 0.0198 0.7637 0.7637
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.1587 0.8799
Brugia malayi MH1 domain containing protein 0.0017 0.0117 0.0117
Toxoplasma gondii exonuclease III APE 0.0023 0.0341 0.0784
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1541 0.1478
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0341 0.0784
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4821 0.8837
Schistosoma mansoni hypothetical protein 0.0035 0.0862 0.1004
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0198 0.7637 0.762
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0117 0.0055
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.1587 0.8799
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0073 0.0073
Toxoplasma gondii thioredoxin reductase 0.0057 0.1773 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0117 0.0055
Echinococcus multilocularis tar DNA binding protein 0.0198 0.7637 0.964
Schistosoma mansoni tar DNA-binding protein 0.0198 0.7637 0.964
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0188 0.7223 0.7223
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0188 0.7223 0.9112
Echinococcus multilocularis geminin 0.0205 0.792 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0117 0.0044
Brugia malayi Smad1 0.0017 0.0117 0.0117
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0862 0.0862
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0219 0.5
Leishmania major trypanothione reductase 0.0057 0.1773 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0341 1
Loa Loa (eye worm) TAR-binding protein 0.0198 0.7637 0.762
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4821 0.8837
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1773 1
Schistosoma mansoni tar DNA-binding protein 0.0198 0.7637 0.964
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1773 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1773 0.2167
Loa Loa (eye worm) hypothetical protein 0.0035 0.0862 0.0794
Schistosoma mansoni smad1 5 8 and 0.0017 0.0117 0.0055
Schistosoma mansoni tar DNA-binding protein 0.0198 0.7637 0.964
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0188 0.7223 0.7203
Mycobacterium tuberculosis Probable reductase 0.013 0.4821 0.8837
Echinococcus multilocularis Smad4 0.0017 0.0117 0.0055
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.5427 1
Trypanosoma brucei trypanothione reductase 0.0057 0.1773 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.1587 0.8799
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0341 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.019 0.7324 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4821 0.8837
Schistosoma mansoni hypothetical protein 0.0024 0.0378 0.0388
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0341 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0341 0.5
Plasmodium falciparum thioredoxin reductase 0.0057 0.1773 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1773 0.2985
Echinococcus granulosus geminin 0.0205 0.792 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0219 0.0185
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0117 0.0055
Loa Loa (eye worm) hypothetical protein 0.0053 0.1587 0.1525
Loa Loa (eye worm) transcription factor SMAD2 0.0255 1 1
Echinococcus granulosus smad 0.0017 0.0117 0.0055
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0219 0.0219
Plasmodium falciparum glutathione reductase 0.0057 0.1773 1
Schistosoma mansoni Smad4 0.0017 0.0117 0.0055
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0341 1
Leishmania major hypothetical protein, conserved 0.0053 0.1587 0.8799
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0341 0.0784
Schistosoma mansoni tar DNA-binding protein 0.0198 0.7637 0.964
Loa Loa (eye worm) hypothetical protein 0.0052 0.1541 0.1478
Brugia malayi glutathione reductase 0.0057 0.1773 0.1773
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0341 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.6891 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) 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) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 18.3564 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 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
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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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