Detailed information for compound 1262564

Basic information

Technical information
  • TDR Targets ID: 1262564
  • Name: benzotriazol-1-yl-phenylmethanone
  • MW: 223.23 | Formula: C13H9N3O
  • H donors: 0 H acceptors: 3 LogP: 2.65 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(n1nnc2c1cccc2)c1ccccc1
  • InChi: 1S/C13H9N3O/c17-13(10-6-2-1-3-7-10)16-12-9-5-4-8-11(12)14-15-16/h1-9H
  • InChiKey: UJEMOXPSTTXLRE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • Benzotriazol-1-yl-phenyl-methanone
  • 1-benzotriazolyl-phenylmethanone
  • 1-Benzoyl-1H-benzotriazole
  • 596590_ALDRICH
  • ZINC00101721
  • ST010702
  • MLS000529214
  • 1-Benzoylbenzotriazole
  • 1H-Benzotriazole, 1-benzoyl-
  • SMR000121689
  • BAS 00626256

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens coagulation factor XII (Hageman factor) Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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 cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii thioredoxin 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis thioredoxin glutathione 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Theileria parva thioredoxin 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
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi 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
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii 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
Leishmania major 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
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani trypanothione reductase 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
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
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 %
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 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
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 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tissue type plasminogen activator 0.0039 0.0915 0.2199
Trypanosoma brucei trypanothione reductase 0.0103 0.2917 0.8561
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7872 1
Mycobacterium tuberculosis Probable reductase 0.0234 0.7051 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2917 0.2985
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1463 0.4257
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1171 0.3329
Brugia malayi Kringle domain containing protein 0.0039 0.0915 0.2117
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0809 0.2454
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.1586 0.5238
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2936 0.7055
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0809 0.1943
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0123 0.0295
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0438 0.1052
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3271 0.7861
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0349 0.072
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.0512 0.1039
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0349 0.072
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.7051 0.8837
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0809 0.5
Toxoplasma gondii thioredoxin reductase 0.0103 0.2917 1
Plasmodium falciparum thioredoxin reductase 0.0036 0.0809 0.2454
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.018 0.0432
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0317
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0039 0.0915 0.2835
Echinococcus multilocularis chromobox protein 1 0.0084 0.2332 0.5603
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0809 0.5
Onchocerca volvulus 0.0032 0.0691 0.1519
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0317
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0809 0.5
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0042 0.0998 0.0887
Echinococcus granulosus RUN 0.0024 0.0438 0.1052
Schistosoma mansoni loxhd1 0.0024 0.0438 0.0319
Leishmania major hypothetical protein, conserved 0.0039 0.0915 0.0432
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0809 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0349 0.072
Brugia malayi SET domain containing protein 0.0014 0.0145 0.0058
Echinococcus granulosus chromobox protein 1 0.0084 0.2332 0.5603
Schistosoma mansoni lipoxygenase 0.01 0.2816 0.2727
Toxoplasma gondii kringle domain-containing protein 0.0039 0.0915 0.2835
Plasmodium falciparum thioredoxin reductase 0.0103 0.2917 1
Onchocerca volvulus 0.0024 0.0438 0.0842
Plasmodium vivax multidomain scavenger receptor, putative 0.0024 0.0438 0.1128
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3271 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0036 0.0809 0.2454
Brugia malayi Heterochromatin protein 1 0.0084 0.2332 0.5902
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7872 1
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.018 0.0465
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.1133
Plasmodium falciparum glutathione reductase 0.0103 0.2917 1
Brugia malayi Protein kinase domain containing protein 0.0039 0.0915 0.2117
Schistosoma mansoni chromobox protein 0.0084 0.2332 0.2236
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.7051 0.8837
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3271 0.8463
Onchocerca volvulus Huntingtin homolog 0.0133 0.3866 1
Onchocerca volvulus 0.0014 0.0145 0.0058
Loa Loa (eye worm) TK/ROR protein kinase 0.0039 0.0915 0.2367
Loa Loa (eye worm) hypothetical protein 0.0037 0.0851 0.2202
Schistosoma mansoni hypothetical protein 0.0024 0.0438 0.0319
Schistosoma mansoni kinase 0.0058 0.151 0.1405
Brugia malayi hypothetical protein 0.0024 0.0438 0.0842
Loa Loa (eye worm) glutathione reductase 0.0103 0.2917 0.7546
Echinococcus granulosus Polycystic kidney disease protein 0.0024 0.0438 0.1052
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0317
Loa Loa (eye worm) hypothetical protein 0.0133 0.3866 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0809 0.5
Brugia malayi glutathione reductase 0.0103 0.2917 0.7465
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0349 0.072
Echinococcus multilocularis cpg binding protein 0.0034 0.0748 0.1798
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2936 0.7055
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0317
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3271 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3271 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1283 0.3101
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2332 0.6032
Plasmodium vivax glutathione reductase, putative 0.0103 0.2917 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.7051 0.8837
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.1171 0.2801
Echinococcus multilocularis Chromo domain 0.0014 0.0123 0.0295
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0809 0.2178
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0691 0.1788
Loa Loa (eye worm) hypothetical protein 0.0039 0.0915 0.2367
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3271 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0349 0.072
Brugia malayi hypothetical protein 0.0024 0.0438 0.0842
Schistosoma mansoni lipoxygenase 0.0142 0.4162 0.4089
Echinococcus granulosus cpg binding protein 0.0034 0.0748 0.1798
Echinococcus multilocularis chromobox protein 2 0.0014 0.0123 0.0295
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3271 1
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0.0915 0.0432
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1283 0.3686
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3271 1
Echinococcus granulosus chromobox protein 2 0.0014 0.0123 0.0295
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0809 0.2454
Loa Loa (eye worm) hypothetical protein 0.0024 0.0438 0.1133
Plasmodium falciparum LCCL domain-containing protein 0.0024 0.0438 0.1128
Brugia malayi Doublecortin family protein 0.0024 0.0438 0.0842
Loa Loa (eye worm) hypothetical protein 0.0047 0.1171 0.3029
Echinococcus multilocularis chromobox protein 1 0.0084 0.2332 0.5603
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.1813 0.1712
Plasmodium falciparum glutathione reductase 0.0036 0.0809 0.2454
Echinococcus multilocularis Polycystic kidney disease protein 0.0024 0.0438 0.1052
Echinococcus granulosus Chromo domain 0.0014 0.0123 0.0295
Schistosoma mansoni cpg binding protein 0.0034 0.0748 0.0633
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0123 0.0295
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2917 1
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0244 0.0386
Schistosoma mansoni polycystin 1-related 0.0024 0.0438 0.0319
Trypanosoma brucei polo-like protein kinase 0.0114 0.3271 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0809 0.1943
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0739 0.1956
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3271 0.7861
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7872 1
Schistosoma mansoni cpg binding protein 0.0034 0.0748 0.0633
Schistosoma mansoni cpg binding protein 0.0032 0.0691 0.0576
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3271 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3271 0.3188
Schistosoma mansoni rab6-interacting 0.0024 0.0438 0.0319
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0739 0.1956
Brugia malayi Thioredoxin reductase 0.0103 0.2917 0.7465
Treponema pallidum NADH oxidase 0.0036 0.0809 0.5
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0809 0.2178
Echinococcus multilocularis lipoxygenase domain containing protein 0.0024 0.0438 0.1052
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0349 0.072
Brugia malayi hypothetical protein 0.0133 0.3866 1
Echinococcus granulosus chromobox protein 1 0.0084 0.2332 0.5603
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2917 0.8561
Schistosoma mansoni rab6-interacting 0.0024 0.0438 0.0319
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.7051 0.8837
Echinococcus granulosus tissue type plasminogen activator 0.0039 0.0915 0.2199
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1171 0.3329
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3271 1
Giardia lamblia Kinase, PLK 0.0114 0.3271 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0244 0.0386
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.4162 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3271 1
Brugia malayi chromobox protein homolog 3 0.0047 0.1171 0.2801
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.018 0.0432
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0809 0.1832
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0021 0.0349 0.072
Brugia malayi CHD4 protein 0.0016 0.018 0.0152
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3271 0.8412
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0809 0.0694
Onchocerca volvulus 0.0037 0.0851 0.1946
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0036 0.0809 0.2454
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0014 0.0145 0.0022
Onchocerca volvulus 0.0039 0.0915 0.2117
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2332 0.7015
Schistosoma mansoni hypothetical protein 0.0039 0.0915 0.0802
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2332 0.7015
Onchocerca volvulus 0.0024 0.0438 0.0842
Loa Loa (eye worm) doublecortin family protein 0.0024 0.0438 0.1133
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0438 0.1052
Brugia malayi CXXC zinc finger family protein 0.0032 0.0691 0.1519
Echinococcus multilocularis RUN 0.0024 0.0438 0.1052
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3271 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0036 0.0809 0.2454
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.0228 0.0334
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.4162 1
Leishmania major trypanothione reductase 0.0103 0.2917 0.8561
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3271 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.0512 0.1039
Onchocerca volvulus Huntingtin homolog 0.0133 0.3866 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.7051 0.8837
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3271 0.8412
Plasmodium falciparum cysteine repeat modular protein 1 0.0039 0.0915 0.2835
Schistosoma mansoni chromobox protein 0.0084 0.2332 0.2236
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0809 0.5
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0036 0.0809 0.2454
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7872 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0024 0.0438 0.1052
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0317
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1283 0.3686
Echinococcus granulosus Chromobox protein 3 0.0014 0.0123 0.0295
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1463 0.4257
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0021 0.0349 0.072
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0317
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2917 0.7546
Loa Loa (eye worm) hypothetical protein 0.0014 0.0123 0.0317
Loa Loa (eye worm) helicase 0.0014 0.0123 0.0317
Loa Loa (eye worm) hypothetical protein 0.0133 0.3866 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0123 0.0295
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.018 0.0058

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 666 nM Antiproliferative activity against human KB cells after 72 hrs by methylene blue staining ChEMBL. 21067930
IC50 (functional) = 668 nM Antiproliferative activity against human MKN45 cells after 72 hrs by methylene blue staining ChEMBL. 21067930
IC50 (functional) = 750 nM Antiproliferative activity against human H460 cells after 72 hrs by methylene blue staining ChEMBL. 21067930
IC50 (functional) = 0.43054 um PUBCHEM_BIOASSAY: Thrombin 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays: 1046 (Thrombin 1536 HTS; hits were confirmed in this assay)] ChEMBL. No reference
IC50 (functional) 2.014353333 uM PUBCHEM_BIOASSAY: Factor XIIa Dose Response Confirmation from Single Well HTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID701] ChEMBL. No reference
IC50 (functional) 2.014353333 uM PUBCHEM_BIOASSAY: Factor XIIa 1536 HTS Dose Response Confirmation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID800] ChEMBL. No reference
Potency (functional) 5.0119 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) 5.9728 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) 14.1254 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 15.8489 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) = 22.3872 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 for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 21067930

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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