Detailed information for compound 1579676

Basic information

Technical information
  • TDR Targets ID: 1579676
  • Name: 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-t hiazol-3-yl]-N-(3-piperidin-1-ylpropyl)piperi dine-4-carboxamide
  • MW: 486.67 | Formula: C26H38N4O3S
  • H donors: 1 H acceptors: 3 LogP: 3.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1=C(c2ccc(cc2)C)S(=O)(=O)N=C1N1CCC(CC1)C(=O)NCCCN1CCCCC1
  • InChi: 1S/C26H38N4O3S/c1-3-23-24(21-10-8-20(2)9-11-21)34(32,33)28-25(23)30-18-12-22(13-19-30)26(31)27-14-7-17-29-15-5-4-6-16-29/h8-11,22H,3-7,12-19H2,1-2H3,(H,27,31)
  • InChiKey: KUBZHFKDZCJYQG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-isothiazol-3-yl]-N-[3-(1-piperidyl)propyl]piperidine-4-carboxamide
  • 1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-3-isothiazolyl]-N-[3-(1-piperidyl)propyl]-4-piperidinecarboxamide
  • 1-[4-ethyl-1,1-diketo-5-(4-methylphenyl)isothiazol-3-yl]-N-(3-piperidinopropyl)isonipecotamide

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
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
Cryptosporidium parvum thioredoxin reductase 1 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related 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
Schistosoma mansoni ap endonuclease 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
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense apurinic/apyrimidinic endonuclease, 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis trypanothione 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
Toxoplasma gondii thioredoxin 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein 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
Plasmodium falciparum 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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 infantum trypanothione 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Plasmodium falciparum 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
Leishmania major 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
Plasmodium knowlesi 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum MGC84926 protein, related 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 trypanothione reductase, putative 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
Echinococcus multilocularis thioredoxin glutathione reductase 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
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 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
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 thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania donovani 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
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0401 0.0229
Echinococcus granulosus proteasome prosome macropain 0.0385 1 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0182 0.4066 1
Brugia malayi proteasome subunit alpha type 4 0.0049 0.0176 0.0176
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.2967 0.2842
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.007 0.0784 0.0619
Brugia malayi proteasome subunit beta type 2 0.0049 0.0176 0.0176
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0245 0.5896 0.5823
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0385 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0401 0.0229
Trypanosoma brucei prolyl oligopeptidase, putative 0.0064 0.0607 0.0439
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0385 1 1
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0245 0.5896 0.5823
Trypanosoma brucei proteasome beta 6 subunit 0.0245 0.5896 0.5823
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0049 0.0176 0.0176
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0401 0.0229
Leishmania major proteasome beta 5 subunit, putative 0.0385 1 1
Toxoplasma gondii prolyl endopeptidase 0.0141 0.2858 0.273
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.2542 0.2409
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.007 0.0784 0.0619
Brugia malayi prolyl oligopeptidase family protein 0.0182 0.4066 0.4066
Plasmodium vivax glutathione reductase, putative 0.0057 0.0401 0.0229
Brugia malayi 20S proteasome alpha5 subunit 0.0049 0.0176 0.0176
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.2858 0.273
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0049 0.0176 0.0176
Brugia malayi Proteasome A-type and B-type family protein 0.0049 0.0176 0.0176
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.2967 0.2842
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0385 1 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0401 0.0401
Brugia malayi Proteasome subunit alpha type 7-1 0.0049 0.0176 0.0176
Trypanosoma brucei trypanothione reductase 0.0057 0.0401 0.0229
Trypanosoma cruzi prolyl endopeptidase 0.0141 0.2858 0.273
Brugia malayi Proteasome subunit alpha type 1 0.0049 0.0176 0.0176
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0064 0.0607 0.0439
Mycobacterium ulcerans proteasome PrcB 0.0385 1 1
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0245 0.5896 0.5823
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0385 1 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0245 0.5896 0.5823
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0141 0.2858 0.273
Plasmodium falciparum proteasome subunit beta type-5 0.0385 1 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.0401 0.0229
Giardia lamblia Proteasome subunit beta type 1 0.0245 0.5896 0.5823
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0245 0.5896 0.5823
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0245 0.5896 0.5823
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.2542 0.2409
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.007 0.0784 0.0619
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0049 0.0176 0.0176
Mycobacterium tuberculosis Probable peptidase 0.0064 0.0607 0.0439
Trypanosoma cruzi oligopeptidase b 0.0064 0.0607 0.0439
Echinococcus granulosus Dipeptidyl peptidase 9 0.007 0.0784 0.0619
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.2967 0.2842
Brugia malayi prolyl oligopeptidase family protein 0.0141 0.2858 0.2858
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0049 0.0176 0.0176
Plasmodium vivax proteasome subunit beta type-5, putative 0.0385 1 1
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0049 0.0176 0.0176
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.007 0.0784 0.0619
Loa Loa (eye worm) proteasome subunit beta type 2 0.0049 0.0176 0.0176
Brugia malayi Proteasome A-type and B-type family protein 0.0049 0.0176 0.0176
Leishmania major trypanothione reductase 0.0057 0.0401 0.0229
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.2542 0.2409
Brugia malayi prolyl oligopeptidase family protein 0.007 0.0784 0.0784
Brugia malayi proteasome subunit beta type 1 0.0245 0.5896 0.5896
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0401 0.0401
Brugia malayi proteasome subunit alpha type 6 0.0049 0.0176 0.0176
Trypanosoma cruzi oligopeptidase b 0.0064 0.0607 0.0439
Brugia malayi proteasome subunit beta type 3 0.0049 0.0176 0.0176
Echinococcus granulosus prolyl endopeptidase 0.0141 0.2858 0.273
Echinococcus multilocularis proteasome (prosome, macropain) 0.0385 1 1
Brugia malayi Thioredoxin reductase 0.0057 0.0401 0.0401
Plasmodium vivax proteasome subunit beta type-1, putative 0.0245 0.5896 0.5823
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0385 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.007 0.0784 0.0619
Loa Loa (eye worm) PAS-3 protein 0.0049 0.0176 0.0176
Trypanosoma brucei prolyl endopeptidase 0.0141 0.2858 0.273
Leishmania major oligopeptidase b 0.0064 0.0607 0.0439
Brugia malayi proteasome subunit alpha type 3 0.0049 0.0176 0.0176
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0401 0.0229
Loa Loa (eye worm) hypothetical protein 0.0141 0.2858 0.2858
Loa Loa (eye worm) prolyl oligopeptidase 0.0182 0.4066 0.4066
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0385 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0401 0.0229
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0245 0.5896 0.5823
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0385 1 1
Mycobacterium tuberculosis Probable reductase 0.013 0.2542 0.2409
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0049 0.0176 0.0176
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0049 0.0176 0.5
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0245 0.5896 0.5823
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0245 0.5896 0.5823
Echinococcus multilocularis Dipeptidyl peptidase 9 0.007 0.0784 0.0619
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.2967 0.2842
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0049 0.0176 0.0176
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0385 1 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0385 1 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.007 0.0784 0.0619
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0064 0.0607 0.0439
Onchocerca volvulus Prolyl endopeptidase homolog 0.0141 0.2858 0.6895
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0049 0.0176 0.0176
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0064 0.0607 0.0439
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0245 0.5896 0.5823
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0064 0.0607 0.0439
Toxoplasma gondii proteasome subunit beta type, putative 0.0385 1 1
Echinococcus multilocularis prolyl endopeptidase 0.0141 0.2858 0.273
Plasmodium falciparum thioredoxin reductase 0.0057 0.0401 0.0229
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.2542 0.2409
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0182 0.4066 0.396
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0182 0.4066 0.396
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0182 0.4066 0.396
Trypanosoma brucei oligopeptidase b 0.0064 0.0607 0.0439
Loa Loa (eye worm) proteasome subunit beta type 1 0.0245 0.5896 0.5896
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0064 0.0607 0.0439
Plasmodium falciparum glutathione reductase 0.0057 0.0401 0.0229
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0049 0.0176 0.0176
Brugia malayi proteasome subunit alpha type 2 0.0049 0.0176 0.0176
Brugia malayi proteasome subunit alpha type 1 0.0049 0.0176 0.0176
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0141 0.2858 0.273
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.2542 0.2409
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0064 0.0607 0.0439
Brugia malayi glutathione reductase 0.0057 0.0401 0.0401
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0385 1 1
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.007 0.0784 0.0619
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0064 0.0607 0.0439
Loa Loa (eye worm) proteasome subunit beta type 3 0.0049 0.0176 0.0176
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.2074 0.1932
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.2542 0.2409
Brugia malayi Proteasome A-type and B-type family protein 0.0049 0.0176 0.0176

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1192 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.3981 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) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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