Detailed information for compound 43058

Basic information

Technical information
  • TDR Targets ID: 43058
  • Name: 1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinoli n-4-amine
  • MW: 267.369 | Formula: C17H21N3
  • H donors: 1 H acceptors: 1 LogP: 3.81 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1c2CCN(c2nc2c1cccc2)C1CCCCC1
  • InChi: 1S/C17H21N3/c18-16-13-8-4-5-9-15(13)19-17-14(16)10-11-20(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,10-11H2,(H2,18,19)
  • InChiKey: IVZOSCLDRXLTLK-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • (1-cyclohexyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)amine
  • CBDivE_009397
  • MLS000080138
  • SMR000034314
  • Oprea1_147121
  • A3836/0162853
  • ChemDiv3_002127
  • Oprea1_247087

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Bacillus subtilis (strain 168) ATP-dependent Clp protease proteolytic subunit Starlite/ChEMBL No references
Homo sapiens sphingomyelin phosphodiesterase 1, acid lysosomal Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax thioredoxin 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii ATP-dependent Clp protease, proteolytic subunit ClpP, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi 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
Echinococcus multilocularis cytoplasmic intermediate filament protein 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 knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma congolense trypanothione 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K06275 parvin, putative Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative Get druggable targets OG5_128629 All targets in OG5_128629
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128629 All targets in OG5_128629
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Treponema pallidum ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Leishmania major trypanothione reductase 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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Neospora caninum ATP-dependent Clp protease proteolytic subunit, related Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus 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
Plasmodium knowlesi glutathione 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis ATP-dependent Clp protease proteolytic subunit 1, putative Get druggable targets OG5_127187 All targets in OG5_127187
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein Get druggable targets OG5_127187 All targets in OG5_127187
Schistosoma mansoni peptidase Clp (S14 family) Get druggable targets OG5_127187 All targets in OG5_127187
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus granulosus peptidase Clp S14 family Get druggable targets OG5_127187 All targets in OG5_127187
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Probable ClpP-like protease Get druggable targets OG5_127187 All targets in OG5_127187
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit Get druggable targets OG5_127187 All targets in OG5_127187
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva ATP-dependent Clp protease proteolytic subunit, putative Get druggable targets OG5_127187 All targets in OG5_127187
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) Get druggable targets OG5_127187 All targets in OG5_127187
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of four genes similar to C. elegans asm2 lysosomal acid sphingomyelin phosphodiesterase (XL940) Get druggable targets OG5_128629 All targets in OG5_128629
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei 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
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii Clp protease ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.6 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Chlamydia trachomatis hypothetical protein ATP-dependent Clp protease proteolytic subunit   197 aa 171 aa 22.8 %
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 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium berghei ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 180 aa 36.7 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
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 489 aa 22.9 %
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 %
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 183 aa 36.1 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Schistosoma mansoni neuropeptide receptor ATP-dependent Clp protease proteolytic subunit   197 aa 174 aa 20.1 %
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 brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Babesia bovis ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 188 aa 41.5 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Treponema pallidum ATP-dependent Clp protease proteolytic subunit ATP-dependent Clp protease proteolytic subunit   197 aa 186 aa 40.3 %
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 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium knowlesi ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 36.0 %
Onchocerca volvulus Putative V-type proton ATPase subunit F ATP-dependent Clp protease proteolytic subunit   197 aa 194 aa 54.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
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 berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative ATP-dependent Clp protease proteolytic subunit   197 aa 189 aa 35.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 ATP-dependent Clp protease proteolytic subunit   197 aa 172 aa 57.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.3003 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0025 0.0203 0.0725
Treponema pallidum octaprenyl-diphosphate synthase 0.0025 0.0203 0.0725
Loa Loa (eye worm) hypothetical protein 0.01 0.3003 0.3296
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.1097 0.158
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.01 0.3003 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.4695 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0611 0.203
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0611 0.088
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0579 0.0442
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.01 0.3008 0.3008
Loa Loa (eye worm) polyprenyl synthetase 0.01 0.3008 0.3302
Loa Loa (eye worm) hypothetical protein 0.0028 0.029 0.0102
Leishmania major polyprenyl synthase, putative 0.0025 0.0203 0.0676
Plasmodium falciparum thioredoxin reductase 0.0057 0.1401 0.4659
Echinococcus multilocularis peregrin 0.0035 0.0579 0.0834
Trypanosoma brucei farnesyl pyrophosphate synthase 0.01 0.3008 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.3587 0.5168
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0025 0.0203 0.0293
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0025 0.0203 0.0676
Brugia malayi intermediate filament protein 0.0033 0.048 0.0552
Leishmania major farnesyl pyrophosphate synthase 0.01 0.3008 1
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0025 0.0203 0.0676
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4149 0.8837
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0579 0.0834
Echinococcus granulosus jumonji domain containing protein 0.0049 0.1097 0.158
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.01 0.3008 1
Echinococcus granulosus peregrin 0.0035 0.0579 0.0834
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4149 0.8837
Schistosoma mansoni glutathione synthetase 0.0025 0.0203 0.0293
Giardia lamblia PHD finger protein 15 0.0035 0.0579 0.1925
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0033 0.0479 0.1592
Echinococcus granulosus peptidase Clp S14 family 0.0062 0.1582 0.2278
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0025 0.0203 0.0293
Brugia malayi jmjC domain containing protein 0.0115 0.3587 0.4125
Onchocerca volvulus 0.0036 0.0611 0.0137
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1401 0.4659
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.4695 1
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0025 0.0203 0.0433
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0025 0.0203 0.0293
Onchocerca volvulus Alhambra homolog 0.0035 0.0579 0.0104
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0479 0.1708
Loa Loa (eye worm) hypothetical protein 0.0033 0.048 0.0326
Loa Loa (eye worm) intermediate filament protein 0.0033 0.048 0.0326
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0857 0.077
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1401 0.2985
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0611 0.088
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0025 0.0203 0.0433
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2804 0.9321
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0025 0.0203 0.0293
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0579 0.1925
Trypanosoma cruzi polyprenyl synthase, putative 0.0025 0.0203 0.0676
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.01 0.3008 0.4333
Leishmania major trypanothione reductase 0.0057 0.1401 0.4659
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1401 0.2019
Schistosoma mansoni intermediate filament proteins 0.0033 0.048 0.0691
Echinococcus multilocularis lamin 0.0033 0.048 0.0691
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.1401 0.4659
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2804 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1401 0.2019
Brugia malayi jmjC domain containing protein 0.0043 0.0857 0.0986
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.048 0.0552
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.01 0.3008 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0025 0.0203 0.0676
Trypanosoma cruzi polyprenyl synthase, putative 0.0025 0.0203 0.0676
Schistosoma mansoni hypothetical protein 0.0205 0.6942 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0025 0.0203 0.0293
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0857 0.1235
Plasmodium vivax SET domain protein, putative 0.0036 0.0611 0.203
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0094 0.2804 0.9321
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0094 0.2804 0.9321
Loa Loa (eye worm) hypothetical protein 0.0094 0.2804 0.3062
Echinococcus multilocularis musashi 0.0033 0.048 0.0691
Plasmodium falciparum phd finger protein, putative 0.0035 0.0579 0.1925
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0025 0.0203 0.0676
Echinococcus multilocularis geminin 0.0205 0.6942 1
Echinococcus granulosus geminin 0.0205 0.6942 1
Trypanosoma brucei trypanothione reductase 0.0057 0.1401 0.4659
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0611 0.088
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1401 0.4659
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.4695 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0579 0.0834
Loa Loa (eye worm) hypothetical protein 0.0032 0.0458 0.0299
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.01 0.3008 1
Leishmania major solanesyl-diphosphate synthase, putative 0.0025 0.0203 0.0676
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0561 0.0808
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0025 0.0203 0.0676
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.3587 0.5168
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.01 0.3008 0.3008
Brugia malayi Polyprenyl synthetase family protein 0.0025 0.0203 0.0234
Brugia malayi Polyprenyl synthetase family protein 0.01 0.3008 0.3459
Schistosoma mansoni peptidase Clp (S14 family) 0.0094 0.2804 0.4039
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.01 0.3008 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.01 0.3008 0.6407
Schistosoma mansoni hypothetical protein 0.0205 0.6942 1
Mycobacterium tuberculosis Probable reductase 0.013 0.4149 0.8837
Echinococcus granulosus farnesyl pyrophosphate synthase 0.01 0.3008 0.4333
Echinococcus multilocularis peptidase Clp (S14 family) 0.0062 0.1582 0.2278
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2804 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.1401 0.1411
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0025 0.0203 0.0676
Plasmodium falciparum glutathione reductase 0.0057 0.1401 0.4659
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0857 0.1235
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0033 0.0479 0.0613
Toxoplasma gondii thioredoxin reductase 0.0057 0.1401 0.4659
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0025 0.0203 0.0725
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.4695 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0062 0.1582 0.3369
Brugia malayi Probable ClpP-like protease 0.0094 0.2804 0.3224
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.01 0.3008 0.3008
Echinococcus granulosus lamin dm0 0.0033 0.048 0.0691
Schistosoma mansoni farnesyl pyrophosphate synthase 0.01 0.3008 0.4333
Loa Loa (eye worm) hypothetical protein 0.0036 0.0611 0.048
Brugia malayi glutathione reductase 0.0057 0.1401 0.1612
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0857 0.1235
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.01 0.3008 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0094 0.2804 0.4039
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0611 0.088
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0025 0.0203 0.0293
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0025 0.0203 0.0433
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0025 0.0203 0.0234
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0611 0.088
Trypanosoma cruzi UDP-glucoronosyl and UDP-glucosyl transferase, putative 0.0028 0.029 0.0965
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0094 0.2804 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8696 1
Schistosoma mansoni trans-prenyltransferase 0.0025 0.0203 0.0293
Schistosoma mansoni jumonji domain containing protein 0.0092 0.2697 0.3886
Echinococcus multilocularis lamin dm0 0.0033 0.048 0.0691
Giardia lamblia Farnesyl diphosphate synthase 0.01 0.3008 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2804 0.9321
Schistosoma mansoni lamin 0.0033 0.048 0.0691
Schistosoma mansoni lamin 0.0033 0.048 0.0691
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0025 0.0203 0.0725
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.01 0.3008 1
Brugia malayi Thioredoxin reductase 0.0057 0.1401 0.1612
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0611 0.088
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0094 0.2804 0.9321
Brugia malayi Pre-SET motif family protein 0.0251 0.8696 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1524 0.1555
Echinococcus granulosus lamin 0.0033 0.048 0.0691
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0033 0.0479 0.1592
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.01 0.3008 1
Schistosoma mansoni hypothetical protein 0.0035 0.0579 0.0834
Toxoplasma gondii hypothetical protein 0.0033 0.0479 0.1592
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0025 0.0203 0.0676
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0094 0.2804 0.5789
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0611 0.088
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0062 0.1582 0.3069
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1401 0.1411
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0062 0.1582 0.3369
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0094 0.2804 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4149 0.8837
Loa Loa (eye worm) hypothetical protein 0.0035 0.0579 0.0442
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0025 0.0203 0.0293
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4149 0.8837
Echinococcus granulosus intermediate filament protein 0.0033 0.048 0.0691
Brugia malayi Pre-SET motif family protein 0.0036 0.0611 0.0702
Brugia malayi PHD-finger family protein 0.0035 0.0579 0.0666
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0579 0.1925
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4149 0.8837
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0025 0.0203 0.0676
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0579 0.1925
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.4149 0.8785
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1987 0.21
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0025 0.0203 0.0676
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0094 0.2804 0.4039
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0579 0.0834
Brugia malayi Bromodomain containing protein 0.0035 0.0579 0.0666
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0094 0.2804 0.9321
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.048 0.0326
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0857 0.1235

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 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) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 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) 13.1154 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) 14.1254 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3342 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 23.7781 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Ratio (functional) 0.6 MRP1 antagonism was determined percentage of MCF-7/VP cells surviving in the absence of vincristine/percentage of MCF-7/VP cells survivingin the presence of vincristine ChEMBL. 14998330
Ratio (functional) = 0.8 Pgp antagonism was determined percentage of NCI/ADR cells surviving in the absence of vinblastine/percentage of NCI/ADR cells surviving in the presence of vinblastine ChEMBL. 14998330
Ratio (functional) 0.6 MRP1 antagonism was determined percentage of MCF-7/VP cells surviving in the absence of vincristine/percentage of MCF-7/VP cells survivingin the presence of vincristine ChEMBL. 14998330
Ratio (functional) = 0.8 Pgp antagonism was determined percentage of NCI/ADR cells surviving in the absence of vinblastine/percentage of NCI/ADR cells surviving in the presence of vinblastine ChEMBL. 14998330
Ratio (functional) 1.3 Ratio of the Pgp to that of MRP1 was determined ChEMBL. 14998330
Toxicity (ADMET) = 97 % Toxicity was determined against of MCF-7 cells at a dose of 10 ug/mL ChEMBL. 14998330
Toxicity (ADMET) = 97 % Toxicity was determined against of MCF-7 cells at a dose of 10 ug/mL ChEMBL. 14998330

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

1 literature reference was collected for this gene.

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