Detailed information for compound 1259678

Basic information

Technical information
  • TDR Targets ID: 1259678
  • Name: N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2 ,4-oxadiazol-3-yl)phenyl]sulfonylpiperidine-4 -carboxamide
  • MW: 474.96 | Formula: C22H23ClN4O4S
  • H donors: 1 H acceptors: 5 LogP: 3.24 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1cccc(c1)c1noc(n1)C)NCc1ccccc1Cl
  • InChi: 1S/C22H23ClN4O4S/c1-15-25-21(26-31-15)17-6-4-7-19(13-17)32(29,30)27-11-9-16(10-12-27)22(28)24-14-18-5-2-3-8-20(18)23/h2-8,13,16H,9-12,14H2,1H3,(H,24,28)
  • InChiKey: QASPJNZPSOFJDT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-piperidine-4-carboxamide
  • N-[(2-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-4-piperidinecarboxamide
  • N-(2-chlorobenzyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-isonipecotamide
  • G948-0032
  • NCGC00138189-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens lamin A/C 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
Leishmania major trypanothione 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
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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 granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Thioredoxin reductase 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax thioredoxin 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
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus thioredoxin glutathione 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 falciparum 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, 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 mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0586 1
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0292 0.0292
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Brugia malayi Thioredoxin reductase 0.0057 0.0586 0.0586
Loa Loa (eye worm) hypothetical protein 0.0033 0.0201 0.0198
Brugia malayi TAR-binding protein 0.0279 0.4068 0.4068
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0045 0.0392 0.0963
Schistosoma mansoni tar DNA-binding protein 0.0279 0.4068 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0056 0.0571 0.0568
Echinococcus multilocularis Smad4 0.0045 0.0392 0.0642
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0056 0.0571 0.0571
Echinococcus granulosus tar DNA binding protein 0.0279 0.4068 0.6667
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1964 1
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1736 0.8837
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1736 0.8837
Echinococcus multilocularis tumor protein p63 0.0408 0.6101 1
Brugia malayi MH2 domain containing protein 0.0045 0.0392 0.0392
Schistosoma mansoni tar DNA-binding protein 0.0279 0.4068 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0078 0.0075
Brugia malayi MH1 domain containing protein 0.0045 0.0392 0.0392
Brugia malayi MH1 domain containing protein 0.0025 0.0078 0.0078
Loa Loa (eye worm) glutathione reductase 0.0057 0.0586 0.0584
Loa Loa (eye worm) hypothetical protein 0.0038 0.0292 0.0289
Loa Loa (eye worm) RNA binding protein 0.0279 0.4068 0.4066
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0586 0.2985
Schistosoma mansoni lamin 0.0033 0.0201 0.0494
Schistosoma mansoni smad 0.002 0.0003 0.0007
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1964 1
Schistosoma mansoni hypothetical protein 0.0038 0.0292 0.0718
Trichomonas vaginalis mercuric reductase, putative 0.002 0 0.5
Schistosoma mansoni Smad4 0.002 0.0003 0.0007
Schistosoma mansoni intermediate filament proteins 0.0033 0.0201 0.0494
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1964 1
Brugia malayi MH1 domain containing protein 0.0045 0.0392 0.0392
Brugia malayi MH1 domain containing protein 0.0025 0.0078 0.0078
Mycobacterium tuberculosis Probable reductase 0.013 0.1736 0.8837
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0045 0.0392 0.0642
Echinococcus granulosus mothers against decapentaplegic 2 0.002 0.0003 0.0005
Echinococcus granulosus lamin 0.0033 0.0201 0.0329
Brugia malayi MH2 domain containing protein 0.0045 0.0392 0.0392
Schistosoma mansoni lamin 0.0033 0.0201 0.0494
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0279 0.4068 0.4066
Brugia malayi Smad1 0.0045 0.0392 0.0392
Echinococcus multilocularis lamin dm0 0.0033 0.0201 0.0329
Echinococcus granulosus mothers against decapentaplegic 5 0.0045 0.0392 0.0642
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1736 0.8837
Echinococcus granulosus lamin dm0 0.0033 0.0201 0.0329
Echinococcus granulosus mothers against decapentaplegic 6 0.002 0.0003 0.0005
Echinococcus multilocularis musashi 0.0033 0.0201 0.0329
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0586 0.0584
Loa Loa (eye worm) MH1 domain-containing protein 0.0045 0.0392 0.0389
Brugia malayi MH2 domain containing protein 0.002 0.0003 0.0003
Echinococcus multilocularis tar DNA binding protein 0.0279 0.4068 0.6667
Loa Loa (eye worm) MH2 domain-containing protein 0.0045 0.0392 0.0389
Schistosoma mansoni smad1 5 8 and 0.0045 0.0392 0.0963
Loa Loa (eye worm) transcription factor SMAD2 0.0656 1 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.0586 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0 0.5
Plasmodium falciparum thioredoxin reductase 0.0057 0.0586 1
Echinococcus granulosus smad 0.0045 0.0392 0.0642
Schistosoma mansoni Smad4 0.002 0.0003 0.0007
Schistosoma mansoni smad 0.0045 0.0392 0.0963
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0586 1
Echinococcus multilocularis smad 0.0045 0.0392 0.0642
Brugia malayi mothers against decapentaplegic homolog 3 0.002 0.0003 0.0003
Schistosoma mansoni tar DNA-binding protein 0.0279 0.4068 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0628 0.1543
Trypanosoma brucei trypanothione reductase 0.0057 0.0586 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0056 0.0571 0.0571
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0 0.5
Echinococcus multilocularis lamin 0.0033 0.0201 0.0329
Echinococcus multilocularis mothers against decapentaplegic 6 0.002 0.0003 0.0005
Loa Loa (eye worm) nuclear factor I 0.0025 0.0078 0.0075
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0201 0.0198
Echinococcus granulosus intermediate filament protein 0.0033 0.0201 0.0329
Brugia malayi glutathione reductase 0.0057 0.0586 0.0586
Plasmodium falciparum glutathione reductase 0.0057 0.0586 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0045 0.0392 0.0642
Brugia malayi RNA binding protein 0.0279 0.4068 0.4068
Loa Loa (eye worm) MH2 domain-containing protein 0.0656 1 1
Schistosoma mansoni tar DNA-binding protein 0.0279 0.4068 1
Onchocerca volvulus 0.006 0.0628 1
Brugia malayi intermediate filament protein 0.0033 0.0201 0.0201
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0586 0.0961
Echinococcus granulosus tumor protein p63 0.0408 0.6101 1
Echinococcus multilocularis mothers against decapentaplegic 2 0.002 0.0003 0.0005
Trichomonas vaginalis glutathione reductase, putative 0.002 0 0.5
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1736 0.8837
Schistosoma mansoni smad1 5 8 and 0.0045 0.0392 0.0963
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0056 0.0571 0.0568
Schistosoma mansoni Smad4 0.0045 0.0392 0.0963
Schistosoma mansoni tar DNA-binding protein 0.0279 0.4068 1
Toxoplasma gondii thioredoxin reductase 0.0057 0.0586 1
Loa Loa (eye worm) TAR-binding protein 0.0279 0.4068 0.4066
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0586 0.0961
Loa Loa (eye worm) Smad1 0.0045 0.0392 0.0389
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0201 0.0201
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1964 1
Onchocerca volvulus 0.0033 0.0201 0.3167
Loa Loa (eye worm) hypothetical protein 0.006 0.0628 0.0625
Treponema pallidum NADH oxidase 0.002 0 0.5
Onchocerca volvulus 0.0033 0.0201 0.3167
Echinococcus multilocularis mothers against decapentaplegic 5 0.0045 0.0392 0.0642
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0 0.5
Schistosoma mansoni smad1 5 8 and 0.0045 0.0392 0.0963
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1736 0.8837
Brugia malayi RNA recognition motif domain containing protein 0.0279 0.4068 0.4068
Loa Loa (eye worm) hypothetical protein 0.0032 0.0191 0.0188
Echinococcus granulosus Smad4 0.0045 0.0392 0.0642
Leishmania major trypanothione reductase 0.0057 0.0586 1
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0201 0.0198

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 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 Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.