Detailed information for compound 1258178

Basic information

Technical information
  • TDR Targets ID: 1258178
  • Name: 4-amino-N-[2,6-bis(methylamino)pyrimidin-4-yl ]benzenesulfonamide dihydrochloride
  • MW: 381.281 | Formula: C12H18Cl2N6O2S
  • H donors: 4 H acceptors: 4 LogP: 2.62 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNc1nc(NC)nc(c1)NS(=O)(=O)c1ccc(cc1)N.Cl.Cl
  • InChi: 1S/C12H16N6O2S.2ClH/c1-14-10-7-11(17-12(15-2)16-10)18-21(19,20)9-5-3-8(13)4-6-9;;/h3-7H,13H2,1-2H3,(H3,14,15,16,17,18);2*1H
  • InChiKey: QOAXXMSJHQHSFV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide dihydrochloride
  • 4-amino-N-[2,6-bis(methylamino)-4-pyrimidinyl]benzenesulfonamide dihydrobromide
  • R140_SIGMA
  • Ro 04-6790 dihydrochloride
  • EU-0101045

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens neuropeptide S receptor 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin 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
Echinococcus granulosus neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii thioredoxin reductase 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 multilocularis thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione 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
Plasmodium yoelii thioredoxin reductase 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
Loa Loa (eye worm) glutathione reductase 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
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative 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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis neuropeptide s receptor Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium falciparum thioredoxin 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
Echinococcus multilocularis neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense 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
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus neuropeptide receptor A26 Get druggable targets OG5_136011 All targets in OG5_136011
Schistosoma japonicum IPR000276,Rhodopsin-like GPCR superfamily,domain-containing Get druggable targets OG5_136011 All targets in OG5_136011
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
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 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
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 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
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 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1362 0.238 0.6347
Echinococcus multilocularis serine protein kinase ATM 0.0948 0.1634 0.1634
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0159 0.3704
Loa Loa (eye worm) cyclin domain-containing protein 0.0238 0.0352 0.1479
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0027 0.0027
Onchocerca volvulus 0.0219 0.0318 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0219 0.0318 0.0821
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0047 0.0009 0.0022
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0496 0.0818 0.0818
Plasmodium vivax glycogen synthase kinase 3, putative 0.0047 0.0009 0.027
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0219 0.0318 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1137 0.1975 0.5095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0009
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0219 0.0318 0.0821
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.0318 0.1337
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0318 0.1337
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0318 0.0821
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.1612
Plasmodium falciparum glycogen synthase kinase 3 0.0047 0.0009 0.027
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1137 0.1975 0.5095
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0219 0.0318 0.1612
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0219 0.0318 0.0821
Loa Loa (eye worm) hypothetical protein 0.0642 0.108 0.4539
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0219 0.0318 0.1337
Loa Loa (eye worm) phosphatidylinositol 3 0.1362 0.238 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0185 0.4324
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0318 0.0821
Trichomonas vaginalis PIKK family atypical protein kinase 0.0423 0.0686 0.2881
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0219 0.0318 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0866 0.1486 0.7526
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0948 0.1634 0.4215
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0002 0.0002
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0642 0.108 0.2787
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0219 0.0318 0.0821
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0219 0.0318 0.0821
Leishmania major hypothetical protein, conserved 0.0043 0.0002 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0219 0.0318 0.0821
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0219 0.0318 0.0821
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1137 0.1975 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0318 0.1612
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1137 0.1975 0.8296
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0642 0.108 0.108
Trichomonas vaginalis conserved hypothetical protein 0.0496 0.0818 0.3436
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.0318 0.1337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0642 0.108 0.4539
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0318 0.1612
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0219 0.0318 0.1337
Plasmodium falciparum thioredoxin reductase 0.0057 0.0027 0.0836
Entamoeba histolytica hypothetical protein 0.0219 0.0318 0.1612
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0715 0.1213 0.5094
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0002 0.0009
Loa Loa (eye worm) beta-lactamase 0.0043 0.0002 0.0009
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0185 0.4324
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0027 0.0836
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0219 0.0318 1
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0047 0.0009 0.0023
Leishmania major phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.0849
Toxoplasma gondii ABC1 family protein 0.0043 0.0002 0.001
Entamoeba histolytica protein kinase rad3, putative 0.0642 0.108 0.5471
Trichomonas vaginalis PIKK family atypical protein kinase 0.0866 0.1486 0.6243
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0159 0.3704
Onchocerca volvulus 0.0219 0.0318 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2192 0.3876 1
Trypanosoma brucei protein kinase, putative 0.0047 0.0009 0.0036
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0009 0.0036
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.2192 0.3876 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0219 0.0318 0.1337
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0027 0.0112
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1137 0.1975 0.8296
Onchocerca volvulus 0.0047 0.0009 0.0207
Leishmania major phosphatidylinositol 3-kinase, putative 0.1137 0.1975 0.5265
Mycobacterium ulcerans beta-lactamase 0.0043 0.0002 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0318 0.1337
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0219 0.0318 1
Plasmodium vivax glutathione reductase, putative 0.0057 0.0027 0.0836
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0219 0.0318 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0219 0.0318 0.1337
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0219 0.0318 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Giardia lamblia Hypothetical protein 0.0219 0.0318 0.1612
Giardia lamblia Kinase, CMGC GSK 0.0047 0.0009 0.0044
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0009
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0318 0.1612
Trichomonas vaginalis conserved hypothetical protein 0.0715 0.1213 0.5094
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.2192 0.3876 0.3876
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0219 0.0318 0.0849
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0318 0.0318
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0219 0.0318 0.1337
Schistosoma mansoni hypothetical protein 0.0219 0.0318 0.0821
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.073 0.1239 0.3197
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0219 0.0318 0.0821
Brugia malayi Thioredoxin reductase 0.0057 0.0027 0.0069
Entamoeba histolytica hypothetical protein 0.0219 0.0318 0.1612
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.0009 0.0044
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0219 0.0318 0.1337
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0002 0.0009
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1137 0.1975 0.5095
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0219 0.0318 0.1337
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0047 0.0009 0.0009
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0002 0.0009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0002 0.0005
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0318 0.1612
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0219 0.0318 0.0318
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0219 0.0318 0.1337
Loa Loa (eye worm) hypothetical protein 0.0225 0.0329 0.1383
Echinococcus multilocularis geminin 0.0205 0.0293 0.0293
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.0009 0.0044
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0318 0.0318
Schistosoma mansoni fkbp-rapamycin associated protein 0.0642 0.108 0.2787
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0318 0.0821
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0642 0.108 0.4539
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0318 0.0821
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0002 0.0009
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0219 0.0318 0.1612
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1137 0.1975 0.5265
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0027 0.0581
Echinococcus granulosus protein kinase shaggy 0.0047 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0219 0.0318 0.1337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0948 0.1634 0.6864
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0219 0.0318 0.1612
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0219 0.0318 0.0318
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Echinococcus multilocularis 0.0219 0.0318 0.0318
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0318 0.0318
Toxoplasma gondii target of rapamycin (TOR), putative 0.1137 0.1975 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1137 0.1975 0.1975
Entamoeba histolytica protein kinase, putative 0.0047 0.0009 0.0044
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.5588 1 1
Mycobacterium ulcerans lipase LipD 0.0043 0.0002 0.5
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.1612
Toxoplasma gondii thioredoxin reductase 0.0057 0.0027 0.0135
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0219 0.0318 0.1612
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0002 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Schistosoma mansoni hypothetical protein 0.0205 0.0293 0.0755
Trypanosoma brucei trypanothione reductase 0.0057 0.0027 0.0112
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1426 0.368
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0219 0.0318 0.0821
Echinococcus multilocularis neuropeptide s receptor 0.0558 0.0931 0.0931
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0219 0.0318 0.1337
Trypanosoma cruzi target of rapamycin kinase 3 0.1137 0.1975 0.5095
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0219 0.0318 0.1337
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1137 0.1975 0.8296
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0219 0.0318 0.1337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0642 0.108 0.4539
Plasmodium vivax hypothetical protein, conserved 0.0219 0.0318 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1137 0.1975 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0642 0.108 0.4539
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0009 0.0036
Giardia lamblia Kinase, CMGC GSK 0.0047 0.0009 0.0044
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Echinococcus granulosus geminin 0.0205 0.0293 0.0293
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0219 0.0318 0.0821
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0219 0.0318 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.1362 0.238 1
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0219 0.0318 0.1337
Echinococcus multilocularis protein kinase shaggy 0.0047 0.0009 0.0009
Entamoeba histolytica hypothetical protein 0.0219 0.0318 0.1612
Giardia lamblia Phosphatidylinositol 4-kinase 0.0219 0.0318 0.1612
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0318 0.1337
Trypanosoma cruzi hypothetical protein, conserved 0.1903 0.3356 0.8658
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0219 0.0318 0.0318
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0002 0.0002
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0526 0.0872 0.2249
Leishmania major hypothetical protein, conserved 0.2122 0.375 1
Leishmania major phosphatidylinositol kinase, putative 0.0219 0.0318 0.0849
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0009
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0219 0.0318 0.0821
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0219 0.0318 0.1612
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0715 0.1213 0.614
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0948 0.1634 0.6864
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0318 0.0821
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0219 0.0318 0.0318
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0219 0.0318 0.0318
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0002 0.0005
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0219 0.0318 0.0821
Schistosoma mansoni hypothetical protein 0.0496 0.0818 0.211
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.1612
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.1612
Trichomonas vaginalis esterase, putative 0.0043 0.0002 0.0009
Mycobacterium tuberculosis Probable reductase 0.013 0.0159 0.3704
Plasmodium vivax hypothetical protein 0.0219 0.0318 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0002 0.5
Mycobacterium ulcerans hypothetical protein 0.0043 0.0002 0.5
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1362 0.238 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0027 0.0112
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0009
Toxoplasma gondii FATC domain-containing protein 0.0948 0.1634 0.8274
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0219 0.0318 0.1337
Echinococcus granulosus neuropeptide s receptor 0.0558 0.0931 0.0931
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.2192 0.3876 0.3876
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0002 0.0009
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0047 0.0009 0.0044
Loa Loa (eye worm) phosphatidylinositol kinase 0.0219 0.0318 0.1337
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0219 0.0318 0.0318
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0219 0.0318 0.1337
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0948 0.1634 0.4215
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0009 0.0036
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1137 0.1975 0.8296
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0219 0.0318 0.0821
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0002 0.0009
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0219 0.0318 0.0318
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1426 0.1426
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0002 0.0009
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0002 0.0005
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0002 0.0005
Entamoeba histolytica phosphatidylinositol 3-kinase 3, putative 0.0219 0.0318 0.1612
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0219 0.0318 0.1337
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0948 0.1634 0.4215
Loa Loa (eye worm) hypothetical protein 0.0496 0.0818 0.3436
Brugia malayi glutathione reductase 0.0057 0.0027 0.0069
Echinococcus multilocularis neuropeptide receptor A26 0.0558 0.0931 0.0931
Schistosoma mansoni hypothetical protein 0.0205 0.0293 0.0755
Brugia malayi beta-lactamase family protein 0.0043 0.0002 0.0005
Entamoeba histolytica hypothetical protein 0.0948 0.1634 0.8274
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0002 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.1612
Loa Loa (eye worm) hypothetical protein 0.0219 0.0318 0.1337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0642 0.108 0.4539
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Loa Loa (eye worm) phosphatidylinositol 3 0.1137 0.1975 0.8296
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Leishmania major phosphatidylinositol kinase related protein, putative 0.0526 0.0872 0.2324
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1426 0.1426
Brugia malayi Cyclin, N-terminal domain containing protein 0.0238 0.0352 0.0908
Leishmania major phosphatidylinositol 4-kinase, putative 0.0219 0.0318 0.0849
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0219 0.0318 0.1337
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1137 0.1975 0.5265
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0318 0.1337
Loa Loa (eye worm) phosphatidylinositol 3 0.0219 0.0318 0.1337
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.0821
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0185 0.5777
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0219 0.0318 0.1337
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.2192 0.3876 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0219 0.0318 0.1337
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1137 0.1975 0.5095
Loa Loa (eye worm) hypothetical protein 0.0043 0.0002 0.0009
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.0425 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0642 0.108 0.108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0219 0.0318 0.1337
Echinococcus granulosus neuropeptide receptor A26 0.0558 0.0931 0.0931
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0219 0.0318 1
Giardia lamblia GTOR 0.1137 0.1975 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0159 0.3704
Loa Loa (eye worm) hypothetical protein 0.0225 0.0329 0.1383
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0496 0.0818 0.0818
Echinococcus multilocularis Zinc finger, PHD finger 0.0219 0.0318 0.0318
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0219 0.0318 0.1337
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1137 0.1975 0.1975
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0185 0.4324
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Leishmania major trypanothione reductase 0.0057 0.0027 0.0071
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Entamoeba histolytica hypothetical protein 0.0219 0.0318 0.1612
Brugia malayi beta-lactamase 0.0043 0.0002 0.0005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0642 0.108 0.4539
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Brugia malayi FAT domain containing protein 0.0496 0.0818 0.211
Trichomonas vaginalis conserved hypothetical protein 0.0423 0.0686 0.2881
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0027 0.0027
Mycobacterium leprae conserved hypothetical protein 0.0219 0.0318 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0219 0.0318 0.0318
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0159 0.4948
Brugia malayi intracellular kinase 0.0047 0.0009 0.0022
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0219 0.0318 0.0821
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0642 0.108 0.2787
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0002 0.0064
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0219 0.0318 0.0821
Brugia malayi beta-lactamase family protein 0.0043 0.0002 0.0005
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1137 0.1975 0.5265
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0219 0.0318 0.0821
Loa Loa (eye worm) hypothetical protein 0.0715 0.1213 0.5094
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.2192 0.3876 1
Loa Loa (eye worm) hypothetical protein 0.073 0.1239 0.5206
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0159 0.3704
Trichomonas vaginalis PIKK family atypical protein kinase 0.0715 0.1213 0.5094
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0047 0.0009 0.0009
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0159 0.3704
Trichomonas vaginalis PIKK family atypical protein kinase 0.1137 0.1975 0.8296
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0009 0.0036
Echinococcus granulosus serine protein kinase ATM 0.0948 0.1634 0.1634
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0047 0.0009 0.0022
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0027 0.0069
Plasmodium falciparum glutathione reductase 0.0057 0.0027 0.0836
Leishmania major hypothetical protein, unknown function 0.0219 0.0318 0.0849
Mycobacterium tuberculosis Conserved hypothetical protein 0.0219 0.0318 0.7484
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0219 0.0318 0.0821

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0501 um PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 13.3714 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) [Related pubchem assays: 1707, 1708 ] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV. (Class of assay: confirmatory) [Related pubchem assays: 1705, 1707 ] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 594 (Rhodamine region spectral profiling screen)] ChEMBL. No reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bloom's syndrome helicase (BLM). (Class of assay: confirmatory) [Related pubchem assays: 593 (Fluorescein region spectral profiling screen), 2386 (Probe Development Summary for Inhibitors of Bloom's syndrome helicase (BLM)), 594 (Rhodamine region spectral profiling screen), 2364 (qHTS Validation Assay for Inhibitors of Bloom's syndrome helicase (BLM))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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