Detailed information for compound 1410128

Basic information

Technical information
  • TDR Targets ID: 1410128
  • Name: 2-chloro-1-morpholin-4-yl-2-phenylethanone
  • MW: 239.698 | Formula: C12H14ClNO2
  • H donors: 0 H acceptors: 1 LogP: 1.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClC(C(=O)N1CCOCC1)c1ccccc1
  • InChi: 1S/C12H14ClNO2/c13-11(10-4-2-1-3-5-10)12(15)14-6-8-16-9-7-14/h1-5,11H,6-9H2
  • InChiKey: FCAFIWSACLLPGG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-chloro-1-morpholino-2-phenyl-ethanone
  • 2-chloro-1-morpholino-2-phenylethanone
  • 2-chloro-1-morpholin-4-yl-2-phenyl-ethanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein 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
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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase 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
Theileria parva thioredoxin reductase, putative 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 Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis thioredoxin glutathione 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii glutathione 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) thioredoxin reductase 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum conserved hypothetical protein 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
Trichomonas vaginalis ap 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
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi glutathione reductase, putative 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 mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Babesia bovis thiodoxin reductase, putative 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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 apurinic/apyrimidinic endonuclease 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
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 brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
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 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
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 22.7 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.212 0.3464
Brugia malayi Trypsin family protein 0.0134 0.6122 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.1203 0.1162
Echinococcus granulosus sortilin 0.0082 0.3329 0.3297
Echinococcus multilocularis sortilin 0.0082 0.3329 0.3297
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1951 0.5803
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0075 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.5942 0.8809
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Onchocerca volvulus 0.0049 0.1483 0.2364
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.1483 0.1443
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.1203 0.1162
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.005 0.1552 0.1512
Schistosoma mansoni hypothetical protein 0.0205 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Brugia malayi Bromodomain containing protein 0.0091 0.3777 0.614
Toxoplasma gondii exonuclease III APE 0.0023 0.0075 0.003
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0075 0.0147
Trypanosoma brucei trypanothione reductase 0.0057 0.1951 1
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis zinc finger protein 0.0024 0.0126 0.0079
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0049 0.1483 0.1443
Schistosoma mansoni hypothetical protein 0.0049 0.1483 0.1443
Schistosoma mansoni zinc finger protein 0.0024 0.0126 0.0079
Echinococcus multilocularis geminin 0.0205 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0075 0.0028
Leishmania major trypanothione reductase 0.0057 0.1951 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1081 0.1766
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.5942 0.8809
Onchocerca volvulus 0.0049 0.1483 0.2364
Echinococcus granulosus glycoprotein Antigen 5 0.0061 0.2151 0.2113
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.6735 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0134 0.6122 0.6103
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0075 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0049 0.1483 0.1443
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Brugia malayi glutathione reductase 0.0057 0.1951 0.3135
Loa Loa (eye worm) hypothetical protein 0.0134 0.6122 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0195 0.0319
Loa Loa (eye worm) glutathione reductase 0.0057 0.1951 0.3188
Schistosoma mansoni hypothetical protein 0.0024 0.0147 0.01
Toxoplasma gondii PAN domain-containing protein 0.0194 0.9442 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0321 0.0275
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.2769 0.2735
Echinococcus multilocularis transmembrane protease serine 3 0.0049 0.1483 0.1443
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0075 0.0046
Loa Loa (eye worm) hypothetical protein 0.0052 0.1646 0.2688
Echinococcus multilocularis glycoprotein Antigen 5 0.0061 0.2151 0.2113
Schistosoma mansoni hypothetical protein 0.0041 0.1081 0.1039
Mycobacterium ulcerans hypothetical protein 0.0049 0.1483 1
Schistosoma mansoni hypothetical protein 0.0025 0.0195 0.0149
Brugia malayi Trypsin family protein 0.0049 0.1483 0.2364
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0075 0.5
Mycobacterium tuberculosis Probable reductase 0.013 0.5942 0.8809
Toxoplasma gondii thioredoxin reductase 0.0057 0.1951 0.2027
Loa Loa (eye worm) hypothetical protein 0.0049 0.1483 0.2423
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0135 0.619 0.6172
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.5942 0.8809
Loa Loa (eye worm) hypothetical protein 0.0049 0.1483 0.2423
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0321 0.0275
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0049 0.1483 0.2364
Echinococcus granulosus transmembrane protease serine 3 0.0049 0.1483 0.1443
Echinococcus multilocularis Mastin 0.0061 0.2151 0.2113
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0075 0.0147
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1951 0.1913
Loa Loa (eye worm) hypothetical protein 0.0049 0.1483 0.2423
Echinococcus multilocularis enteropeptidase 0.0061 0.2151 0.2113
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.5942 0.8809
Echinococcus granulosus zinc finger protein 0.0024 0.0126 0.0079
Onchocerca volvulus 0.0049 0.1483 0.2364
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.5942 0.8809
Onchocerca volvulus 0.0049 0.1483 0.2364
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1951 0.2817
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0049 0.1483 0.1443
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0075 0.0147
Plasmodium vivax sortilin, putative 0.0082 0.3329 1
Brugia malayi Bromodomain containing protein 0.0046 0.1359 0.216
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0049 0.1483 0.1443
Plasmodium falciparum sortilin 0.0082 0.3329 1
Schistosoma mansoni ap endonuclease 0.0023 0.0075 0.0028
Brugia malayi Trypsin family protein 0.0049 0.1483 0.2364
Schistosoma mansoni bromodomain containing protein 0.0076 0.3005 0.2972
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.6735 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0075 0.0123
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.212 0.3413
Plasmodium falciparum glutathione reductase 0.0057 0.1951 0.5803
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.6735 1
Schistosoma mansoni sortilin 0.0058 0.2018 0.198
Echinococcus granulosus enteropeptidase 0.0061 0.2151 0.2113
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0075 0.0085
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Loa Loa (eye worm) hypothetical protein 0.006 0.212 0.3464
Brugia malayi PHD-finger family protein 0.003 0.0477 0.0708
Loa Loa (eye worm) TK/ROR protein kinase 0.0022 0.0047 0.0077
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1081 0.1702
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0075 0.5
Loa Loa (eye worm) hypothetical protein 0.0085 0.3495 0.571
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.1483 0.1443
Brugia malayi Trypsin family protein 0.0049 0.1483 0.2364
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Plasmodium falciparum thioredoxin reductase 0.0057 0.1951 0.5803
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0075 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0075 0.0085
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.212 0.3413
Schistosoma mansoni hypothetical protein 0.0049 0.1483 0.1443
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1951 0.1913
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0049 0.1483 0.1443
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0049 0.1483 0.1443
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0075 0.0028
Toxoplasma gondii sortilin, putative 0.0082 0.3329 0.3493
Loa Loa (eye worm) hypothetical protein 0.0046 0.1364 0.2228
Onchocerca volvulus 0.0049 0.1483 0.2364
Onchocerca volvulus 0.0134 0.6122 1
Brugia malayi Thioredoxin reductase 0.0057 0.1951 0.3135
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0321 0.0275
Loa Loa (eye worm) hypothetical protein 0.0022 0.0047 0.0077
Loa Loa (eye worm) hypothetical protein 0.0049 0.1483 0.2423
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0061 0.2151 0.2113
Schistosoma mansoni ap endonuclease 0.0023 0.0075 0.0028
Onchocerca volvulus 0.0085 0.3474 0.5642
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.2769 0.2735
Loa Loa (eye worm) hypothetical protein 0.0049 0.1483 0.2423
Loa Loa (eye worm) trypsin family protein 0.0049 0.1483 0.2423
Brugia malayi Trypsin-like protease protein 5 0.0049 0.1483 0.2364
Toxoplasma gondii PAN domain-containing protein 0.0194 0.9442 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.6735 1
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1951 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1951 0.3188
Loa Loa (eye worm) hypothetical protein 0.0049 0.152 0.2483
Loa Loa (eye worm) hypothetical protein 0.0134 0.6122 1
Echinococcus granulosus Mastin 0.0061 0.2151 0.2113
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0075 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0049 0.1483 0.1443
Brugia malayi hypothetical protein 0.0049 0.1483 0.2364
Plasmodium vivax glutathione reductase, putative 0.0057 0.1951 0.5803

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1337 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.1458 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 4.1475 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) 7.3753 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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) 22.3872 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) 35.4813 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 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) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) 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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