Detailed information for compound 1452767

Basic information

Technical information
  • TDR Targets ID: 1452767
  • Name: 1-(5-chloro-2-methylphenyl)-3-(1,2,4-triazol- 4-yl)thiourea
  • MW: 267.738 | Formula: C10H10ClN5S
  • H donors: 1 H acceptors: 2 LogP: 2.45 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)N=C(Nn1cnnc1)S)C
  • InChi: 1S/C10H10ClN5S/c1-7-2-3-8(11)4-9(7)14-10(17)15-16-5-12-13-6-16/h2-6H,1H3,(H2,14,15,17)
  • InChiKey: UPZZRCIUONLQER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(5-chloro-2-methyl-phenyl)-3-(1,2,4-triazol-4-yl)thiourea

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Plasmodium falciparum M18 aspartyl aminopeptidase Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis thioredoxin 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
Plasmodium berghei M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Neospora caninum MGC84926 protein, related 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
Entamoeba histolytica aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi Aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Babesia bovis thiodoxin 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
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania major protein kinase, putative,polo-like protein kinase, 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum ko:K01267 aspartyl aminopeptidase [EC3.4.11.21], putative Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania infantum trypanothione reductase 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
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania braziliensis aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma congolense protein kinase, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Neospora caninum hypothetical protein Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma cruzi polo-like protein kinase, putative 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
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to vacuolar aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum M18 aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania infantum aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC Get druggable targets OG5_128020 All targets in OG5_128020
Entamoeba histolytica aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Theileria parva thioredoxin 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 major trypanothione 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium vivax M18 aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 Get druggable targets OG5_128020 All targets in OG5_128020
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
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani aspartyl aminopeptidase, putative Get druggable targets OG5_128020 All targets in OG5_128020
Schistosoma mansoni aspartyl aminopeptidase (M18 family) Get druggable targets OG5_128020 All targets in OG5_128020
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense polo-like protein kinase,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
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum possible aspartyl aminopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium tuberculosis Probable aminopeptidase PepC Get druggable targets OG5_128020 All targets in OG5_128020
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase Get druggable targets OG5_128020 All targets in OG5_128020
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania major 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 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 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
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3541 0.3541
Brugia malayi Peptidase family M1 containing protein 0.0036 0.0627 0.0722
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0783 0.0783
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0087 0.2513 0.7097
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0611 0.1002
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0036 0.0627 0.1772
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.3541 0.4072
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.2513 0.4123
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0036 0.0627 0.2497
Brugia malayi glutathione reductase 0.0057 0.1401 0.1612
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.3541 1
Echinococcus granulosus aspartyl aminopeptidase 0.0087 0.2513 0.7097
Loa Loa (eye worm) aspartyl aminopeptidase 0.0087 0.2513 0.2353
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0611 0.1002
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.3541 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.2513 0.2513
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0087 0.2513 0.7097
Trypanosoma brucei Aminopeptidase M1, putative 0.0104 0.3155 0.8911
Brugia malayi Thioredoxin reductase 0.0057 0.1401 0.1612
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0036 0.0627 0.1772
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Loa Loa (eye worm) hypothetical protein 0.0067 0.1785 0.1452
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.3541 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.4149 0.7498
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1401 0.0978
Brugia malayi Peptidase family M1 containing protein 0.0104 0.3155 0.3628
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0611 0.1002
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.3541 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0561 0.1584
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Toxoplasma gondii aminopeptidase N protein 0.0036 0.0627 0.4477
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3541 0.3541
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1378 0.1378
Loa Loa (eye worm) hypothetical protein 0.0067 0.1785 0.1452
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0036 0.0627 0.2497
Schistosoma mansoni aminopeptidase A (M01 family) 0.0036 0.0627 0.1029
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Echinococcus multilocularis aspartyl aminopeptidase 0.0087 0.2513 0.7097
Trypanosoma brucei aminopeptidase, putative 0.0036 0.0627 0.1772
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.4695 1
Onchocerca volvulus 0.0104 0.3155 0.271
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.4695 1
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0036 0.0627 0.1772
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0087 0.2513 0.5353
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0036 0.0627 0.2497
Loa Loa (eye worm) hypothetical protein 0.0036 0.0627 0.0021
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.4149 0.8837
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0036 0.0627 0.0021
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0104 0.3155 0.8911
Trichomonas vaginalis set domain proteins, putative 0.0286 1 1
Brugia malayi hypothetical protein 0.0036 0.0627 0.0722
Brugia malayi Pre-SET motif family protein 0.0036 0.0611 0.0702
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0104 0.3155 0.8911
Toxoplasma gondii aminopeptidase N, putative 0.0036 0.0627 0.4477
Loa Loa (eye worm) hypothetical protein 0.0036 0.0627 0.0021
Echinococcus granulosus leukotriene A 4 hydrolase 0.0036 0.0627 0.1772
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1401 0.5576
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3541 0.3541
Loa Loa (eye worm) peptidase family M1 containing protein 0.0036 0.0627 0.0021
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.0783 0.0783
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3541 0.3541
Plasmodium vivax glutathione reductase, putative 0.0057 0.1401 0.5576
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0627 0.1772
Loa Loa (eye worm) hypothetical protein 0.0087 0.2513 0.2353
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3541 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1378 0.1378
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0783 0.0783
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1401 0.3958
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.3541 0.3624
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0036 0.0627 0.1772
Loa Loa (eye worm) aminopeptidase N 0.0104 0.3155 0.3147
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0036 0.0627 0.1772
Brugia malayi Peptidase family M1 containing protein 0.0104 0.3155 0.3628
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.3541 1
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0036 0.0627 0.1029
Mycobacterium tuberculosis Probable reductase 0.013 0.4149 0.8837
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0104 0.3155 0.3155
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0067 0.1785 0.504
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.4695 1
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0087 0.2513 0.7097
Onchocerca volvulus 0.0036 0.0627 0.0018
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0067 0.1785 0.2927
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1401 0.3958
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.3541 0.3121
Brugia malayi Pre-SET motif family protein 0.0251 0.8696 1
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.3541 0.5809
Trypanosoma cruzi Aminopeptidase M1, putative 0.0104 0.3155 0.8911
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0036 0.0627 0.1029
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.4149 0.8837
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0104 0.3155 0.3155
Echinococcus multilocularis aminopeptidase N 0.0104 0.3155 0.8911
Onchocerca volvulus 0.0104 0.3155 0.271
Toxoplasma gondii thioredoxin reductase 0.0057 0.1401 1
Trypanosoma cruzi aminopeptidase, putative 0.0104 0.3155 0.8911
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.4149 0.8837
Giardia lamblia Kinase, PLK 0.0114 0.3541 1
Echinococcus granulosus aminopeptidase N 0.0104 0.3155 0.8911
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0611 0.1002
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Loa Loa (eye worm) hypothetical protein 0.0067 0.1785 0.1452
Loa Loa (eye worm) hypothetical protein 0.0036 0.0627 0.0021
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.0783 0.0783
Schistosoma mansoni kinase 0.0058 0.1434 0.2353
Mycobacterium ulcerans aminopeptidase N PepN 0.0036 0.0627 0.1989
Trypanosoma brucei polo-like protein kinase 0.0114 0.3541 1
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0104 0.3155 0.8911
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0036 0.0627 0.0627
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0611 0.1725
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0611 0.1725
Plasmodium falciparum thioredoxin reductase 0.0057 0.1401 0.5576
Loa Loa (eye worm) glutathione reductase 0.0057 0.1401 0.0978
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1401 0.3958
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.2513 0.2513
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0104 0.3155 0.5176
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0087 0.2513 0.2513
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0036 0.0627 0.2497
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0036 0.0627 0.1772
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3541 0.3541
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0087 0.2513 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8696 1
Trypanosoma cruzi aminopeptidase, putative 0.0036 0.0627 0.1772
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.4149 0.8837
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0104 0.3155 0.8911
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0104 0.3155 0.5176
Brugia malayi Aspartyl aminopeptidase 0.0087 0.2513 0.289
Loa Loa (eye worm) hypothetical protein 0.0087 0.2513 0.2353
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.2513 0.7097
Loa Loa (eye worm) TATA binding protein associated factor 0.0036 0.0627 0.0021
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0104 0.3155 0.8911
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0611 0.4358
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0067 0.1785 0.504
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.4149 0.8837
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0087 0.2513 0.4123
Entamoeba histolytica aminopeptidase, putative 0.0104 0.3155 0.6247
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0087 0.2513 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.4695 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0611 0.1725
Leishmania major trypanothione reductase 0.0057 0.1401 0.3958
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3541 0.3541
Plasmodium vivax SET domain protein, putative 0.0036 0.0611 0.243
Brugia malayi hypothetical protein 0.0104 0.3155 0.3628
Trypanosoma brucei trypanothione reductase 0.0057 0.1401 0.3958
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0783 0.0783
Brugia malayi TATA binding protein associated factor 0.0036 0.0627 0.0722
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.3541 0.3541
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0041 0.0783 0.0783
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0104 0.3155 0.8911
Trypanosoma brucei Aminopeptidase M1, putative 0.0104 0.3155 0.8911
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0087 0.2513 0.7097
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0104 0.3155 1
Treponema pallidum NADH oxidase 0.002 0 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1401 0.2985
Toxoplasma gondii aminopeptidase n, putative 0.0036 0.0627 0.4477
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0036 0.0627 0.1772
Trichomonas vaginalis hypothetical protein 0.0041 0.0783 0.0783
Plasmodium falciparum glutathione reductase 0.0057 0.1401 0.5576
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0036 0.0627 0.1772

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.064 um PUBCHEM_BIOASSAY: QFRET-based biochemical high throughput dose response assay for inhibitors of the Plasmodium falciparum M18 Aspartyl Aminopeptidase (PFM18AAP). (Class of assay: confirmatory) [Related PubChem assays: 2170 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
IC50 (binding) > 59.642 um PUBCHEM_BIOASSAY: QFRET-based counterscreen for inhibitors of PFM18AAP: biochemical high throughput dose response assay for inhibitors of the Cathepsin L proteinase (CTSL1). (Class of assay: confirmatory) [Related pubchem assays: 2178 (Confirmation screen (PFM18AAP inhibitors).), 1855 (Summary AID.)] ChEMBL. No reference
Potency (functional) 2.6169 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) 7.0795 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) 7.9433 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) 10.6213 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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