Detailed information for compound 1384476

Basic information

Technical information
  • TDR Targets ID: 1384476
  • Name: N-methyl-2-(1-methylpyrazol-4-yl)-N-[[3-(4-ph enylphenyl)-2H-pyrazol-4-yl]methyl]ethanamine
  • MW: 371.478 | Formula: C23H25N5
  • H donors: 1 H acceptors: 2 LogP: 3.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1c[nH]nc1c1ccc(cc1)c1ccccc1)CCc1cnn(c1)C
  • InChi: 1S/C23H25N5/c1-27(13-12-18-14-25-28(2)16-18)17-22-15-24-26-23(22)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,14-16H,12-13,17H2,1-2H3,(H,24,26)
  • InChiKey: BOHDIIZPUTXTIZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-methyl-2-(1-methyl-4-pyrazolyl)-N-[[3-(4-phenylphenyl)-2H-pyrazol-4-yl]methyl]ethanamine
  • methyl-[2-(1-methylpyrazol-4-yl)ethyl]-[[3-(4-phenylphenyl)-2H-pyrazol-4-yl]methyl]amine
  • N-[(3-biphenyl-4-yl-1H-pyrazol-4-yl)methyl]-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)ethanamine
  • SMR000318359
  • MLS000735665

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Thioredoxin 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
Leishmania infantum 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
Brugia malayi glutathione reductase 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
Plasmodium vivax glutathione reductase, putative 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
Cryptosporidium parvum conserved hypothetical protein 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
Cryptosporidium hominis thioredoxin reductase 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
Babesia bovis thiodoxin 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
Plasmodium vivax thioredoxin reductase, putative 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
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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:K10771 AP endonuclease 1, 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
Brugia malayi exodeoxyribonuclease III family 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
Toxoplasma gondii thioredoxin 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva thioredoxin 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense trypanothione reductase, putative 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
Loa Loa (eye worm) thioredoxin 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
Plasmodium berghei glutathione reductase, 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) exodeoxyribonuclease III family 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
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 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, 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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
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 donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0149 0.1976 0.183
Echinococcus multilocularis neuroendocrine convertase 2 0.0398 0.6096 0.7513
Echinococcus granulosus histone deacetylase 7 0.0315 0.4727 0.4483
Schistosoma mansoni histone deacetylase 4 5 0.0315 0.4727 0.4632
Trypanosoma cruzi histone deacetylase, putative 0.0315 0.4727 1
Plasmodium falciparum histone deacetylase, putative 0.0315 0.4727 1
Trypanosoma cruzi histone deacetylase, putative 0.0138 0.179 0.3787
Loa Loa (eye worm) glutathione reductase 0.0057 0.0443 0.0443
Loa Loa (eye worm) histone deacetylase 1 0.0294 0.4378 0.4378
Toxoplasma gondii histone deacetylase HDAC5 0.0138 0.179 0.3787
Toxoplasma gondii histone deacetylase HDAC1 0.0315 0.4727 1
Mycobacterium tuberculosis Probable reductase 0.013 0.1657 0.8342
Echinococcus multilocularis histone deacetylase 0.0315 0.4727 0.5693
Schistosoma mansoni histone deacetylase hda2 0.0138 0.179 0.1641
Loa Loa (eye worm) histone deacetylase 3 0.0294 0.4378 0.4378
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0443 0.0937
Echinococcus multilocularis histone deacetylase 6 0.0315 0.4727 0.5693
Trypanosoma brucei histone deacetylase 2 0.0138 0.179 0.3787
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.1657 0.8342
Leishmania major histone deacetylase, putative 0.0315 0.4727 1
Schistosoma mansoni hypothetical protein 0.0122 0.1527 0.1373
Trypanosoma cruzi histone deacetylase 1, putative 0.0294 0.4378 0.9261
Brugia malayi proprotein convertase 2 0.0398 0.6096 0.6096
Plasmodium vivax glutathione reductase, putative 0.0057 0.0443 0.0937
Loa Loa (eye worm) hypothetical protein 0.0041 0.0178 0.0178
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0443 0.0937
Trypanosoma brucei trypanothione reductase 0.0057 0.0443 0.0937
Trichomonas vaginalis histone deacetylase, putative 0.0294 0.4378 0.6551
Loa Loa (eye worm) hypothetical protein 0.0633 1 1
Trichomonas vaginalis histone deacetylase, putative 0.0294 0.4378 0.6551
Loa Loa (eye worm) endoprotease bli-4 0.0633 1 1
Brugia malayi celfurPC protein 0.051 0.7968 0.7968
Echinococcus granulosus histone deacetylase 3 0.0294 0.4378 0.4118
Brugia malayi Histone deacetylase family protein 0.0315 0.4727 0.4727
Toxoplasma gondii thioredoxin reductase 0.0057 0.0443 0.0937
Trichomonas vaginalis histone deacetylase, putative 0.0294 0.4378 0.6551
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0149 0.1976 0.1032
Echinococcus granulosus histone deacetylase 6 0.0315 0.4727 0.4483
Toxoplasma gondii histone deacetylase HDAC4 0.0138 0.179 0.3787
Trypanosoma brucei histone deacetylase 4 0.0315 0.4727 1
Echinococcus granulosus neuroendocrine convertase 2 0.0398 0.6096 0.5915
Echinococcus multilocularis histone deacetylase 6 0.0322 0.4844 0.5849
Echinococcus multilocularis Furin 1 0.0149 0.1976 0.2037
Trichomonas vaginalis histone deacetylase, putative 0.0294 0.4378 0.6551
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1899 1
Echinococcus granulosus histone deacetylase 1 0.0294 0.4378 0.4118
Trypanosoma brucei histone deacetylase, putative 0.0315 0.4727 1
Giardia lamblia Histone deacetylase 0.0294 0.4378 1
Brugia malayi histone deacetylase 11 0.0138 0.179 0.179
Loa Loa (eye worm) hypothetical protein 0.0248 0.3615 0.3615
Toxoplasma gondii histone deacetylase HDAC2 0.0294 0.4378 0.9261
Trypanosoma brucei histone deacetylase 3 0.0315 0.4727 1
Trypanosoma cruzi histone deacetylase, putative 0.0315 0.4727 1
Trichomonas vaginalis histone deacetylase, putative 0.0294 0.4378 0.6551
Plasmodium vivax histone deacetylase 2, putative 0.0315 0.4727 1
Toxoplasma gondii histone deacetylase HDAC3 0.0294 0.4378 0.9261
Echinococcus granulosus histone deacetylase 0.0315 0.4727 0.4483
Echinococcus multilocularis histone deacetylase 1 0.0294 0.4378 0.5229
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1899 1
Brugia malayi Histone deacetylase 1 0.0294 0.4378 0.4378
Giardia lamblia High cysteine membrane protein Group 2 0.0235 0.3398 0.6564
Echinococcus granulosus histone deacetylase 6 0.0322 0.4844 0.4605
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.1657 0.8342
Brugia malayi Thioredoxin reductase 0.0057 0.0443 0.0443
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0178 0.0178
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0443 0.0443
Echinococcus granulosus histone deacetylase 8 0.0138 0.179 0.141
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.1657 0.8342
Leishmania major histone deacetylase, putative 0.0294 0.4378 0.9261
Loa Loa (eye worm) hypothetical protein 0.0177 0.2432 0.2432
Schistosoma mansoni histone deacetylase 1 2 3 0.0138 0.179 0.1641
Plasmodium vivax histone deacetylase, putative 0.0138 0.179 0.3787
Brugia malayi Histone deacetylase family protein 0.0315 0.4727 0.4727
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.1657 0.8342
Schistosoma mansoni histone deacetylase 0.0294 0.4378 0.4276
Loa Loa (eye worm) hypothetical protein 0.0294 0.4378 0.4378
Schistosoma mansoni histone deacetylase hda2 0.0322 0.4844 0.4751
Onchocerca volvulus Histone deacetylase 10 homolog 0.0138 0.179 0.5
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0294 0.4378 0.6551
Brugia malayi neuroendocrine convertase 1 precursor 0.0398 0.6096 0.6096
Loa Loa (eye worm) proprotein convertase 2 0.0149 0.1976 0.1976
Echinococcus multilocularis histone deacetylase 6 0.0315 0.4727 0.5693
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0149 0.1976 0.1032
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1899 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0494 0.0494
Entamoeba histolytica histone deacetylase, putative 0.0294 0.4378 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0494 0.0494
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0384 0.5879 0.7225
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0149 0.1976 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0384 0.5879 1
Trichomonas vaginalis histone deacetylase, putative 0.0294 0.4378 0.6551
Leishmania major histone deacetylase, putative 0.0315 0.4727 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.0443 0.0937
Brugia malayi histone deacetylase 1 (HD1) 0.0294 0.4378 0.4378
Plasmodium vivax histone deacetylase 1, putative 0.0294 0.4378 0.9261
Schistosoma mansoni furin-1 (S08 family) 0.0275 0.4064 0.3957
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0494 0.0494
Echinococcus granulosus histone deacetylase 6 0.0315 0.4727 0.4483
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0294 0.4378 0.6551
Trypanosoma cruzi histone deacetylase, putative 0.0138 0.179 0.3787
Brugia malayi histone deacetylase 3 (HD3) 0.0294 0.4378 0.4378
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0633 1 1
Echinococcus granulosus Furin 1 0.0149 0.1976 0.1604
Plasmodium vivax histone deacetylase, putative 0.0315 0.4727 1
Brugia malayi glutathione reductase 0.0057 0.0443 0.0443
Schistosoma mansoni histone deacetylase 0.0294 0.4378 0.4276
Leishmania major trypanothione reductase 0.0057 0.0443 0.0937
Loa Loa (eye worm) histone deacetylase 11 0.0138 0.179 0.179
Loa Loa (eye worm) hypothetical protein 0.0138 0.179 0.179
Schistosoma mansoni histone deacetylase 4 5 0.0315 0.4727 0.4632
Plasmodium falciparum histone deacetylase 1 0.0294 0.4378 0.9261
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.1657 0.8342
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0149 0.1976 0.1032
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0149 0.1976 0.1032
Plasmodium falciparum glutathione reductase 0.0057 0.0443 0.0937
Trypanosoma brucei histone deacetylase 1 0.0294 0.4378 0.9261
Echinococcus multilocularis histone deacetylase 8 0.0138 0.179 0.179
Echinococcus multilocularis histone deacetylase 3 0.0294 0.4378 0.5229
Leishmania major histone deacetylase, putative 0.0294 0.4378 0.9261
Echinococcus multilocularis histone deacetylase 7 0.0315 0.4727 0.5693
Loa Loa (eye worm) histone deacetylase 7A 0.0315 0.4727 0.4727
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0384 0.5879 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0294 0.4378 0.6551
Trypanosoma cruzi histone deacetylase, putative 0.0315 0.4727 1
Plasmodium falciparum histone deacetylase 2 0.0315 0.4727 1
Echinococcus granulosus furin 0.0633 1 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0384 0.5879 0.5688
Trypanosoma cruzi histone deacetylase 1, putative 0.0294 0.4378 0.9261
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1899 1
Loa Loa (eye worm) histone deacetylase 0.0315 0.4727 0.4727
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0494 0.0494
Loa Loa (eye worm) hypothetical protein 0.0184 0.2549 0.2549
Echinococcus multilocularis 0.051 0.7968 1
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0149 0.1976 0.1032

Activities

Activity type Activity value Assay description Source 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) 3.5481 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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

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.
 
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.