Detailed information for compound 1434609

Basic information

Technical information
  • TDR Targets ID: 1434609
  • Name: N-[(4-ethylphenyl)methyl]-1-(1-methylindol-5- yl)sulfonylpiperidine-3-carboxamide
  • MW: 439.57 | Formula: C24H29N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.21 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)CNC(=O)C1CCCN(C1)S(=O)(=O)c1ccc2c(c1)ccn2C
  • InChi: 1S/C24H29N3O3S/c1-3-18-6-8-19(9-7-18)16-25-24(28)21-5-4-13-27(17-21)31(29,30)22-10-11-23-20(15-22)12-14-26(23)2/h6-12,14-15,21H,3-5,13,16-17H2,1-2H3,(H,25,28)
  • InChiKey: BHQMIXHYLJULCB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-ethylphenyl)methyl]-1-(1-methylindol-5-yl)sulfonyl-piperidine-3-carboxamide
  • N-[(4-ethylphenyl)methyl]-1-[(1-methyl-5-indolyl)sulfonyl]-3-piperidinecarboxamide
  • N-(4-ethylbenzyl)-1-(1-methylindol-5-yl)sulfonyl-nipecotamide
  • G585-1715
  • NCGC00132107-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Cryptosporidium hominis thioredoxin 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione 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
Leishmania braziliensis trypanothione 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
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii 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
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione 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
Plasmodium knowlesi 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
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva thioredoxin 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
Neospora caninum Glutathione reductase, related 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis thioredoxin glutathione 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
Leishmania infantum 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
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
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 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, 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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
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 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
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 22.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.0285 0.0244
Trichomonas vaginalis fk506-binding protein, putative 0.0167 0.1349 0.1323
Leishmania major phosphatidylinositol kinase related protein, putative 0.0065 0.0285 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0671 0.6581 0.6571
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.7339 0.7331
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0065 0.0285 0.0079
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.0285 0.0244
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0167 0.1349 0.1095
Trichomonas vaginalis conserved hypothetical protein 0.0211 0.1803 0.1779
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0189 0.1579 0.1544
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0167 0.1349 0.1165
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0285 0.0256
Loa Loa (eye worm) hypothetical protein 0.0065 0.0285 0.0285
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0065 0.0285 0.0228
Giardia lamblia GTOR 0.1001 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.024 0.0199
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0167 0.1349 0.1312
Brugia malayi glutathione reductase 0.0057 0.0208 0.0166
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0065 0.0285 0.0108
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0065 0.0285 0.0079
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0065 0.0285 0.0256
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0167 0.1349 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0065 0.0285 0.0228
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0211 0.1803 0.2238
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1001 1 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0059 0.0017
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0065 0.0285 0.0678
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.7339 0.7331
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.7339 0.7331
Trichomonas vaginalis PIKK family atypical protein kinase 0.0065 0.0285 0.0256
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0967 0.8342
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.0465 0.0465
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0065 0.0285 0.0079
Onchocerca volvulus 0.0065 0.0285 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.7339 0.7331
Leishmania major phosphatidylinositol 3-kinase, putative 0.0065 0.0285 0.0079
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0065 0.0285 0.0244
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0065 0.0285 0.0244
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0167 0.1349 0.1165
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0065 0.0285 0.0244
Entamoeba histolytica hypothetical protein 0.0189 0.1579 0.1332
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0167 0.1349 0.1095
Mycobacterium tuberculosis Conserved hypothetical protein 0.0065 0.0285 0.085
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.024 0.0199
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0189 0.1579 0.1401
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0336 0.3098 0.2951
Onchocerca volvulus 0.0065 0.0285 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0539 0.5214 0.52
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0065 0.0285 0.0079
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0065 0.0285 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.054 0.5222 0.5208
Trichomonas vaginalis PIKK family atypical protein kinase 0.0796 0.7875 0.7869
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0065 0.0285 0.0678
Schistosoma mansoni fkbp-rapamycin associated protein 0.0189 0.1579 0.1544
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0146 0.1133 0.1081
Schistosoma mansoni hypothetical protein 0.0065 0.0285 0.0244
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0167 0.1349 0.1165
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0065 0.0285 0.0079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.7339 0.7331
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.1579 0.1554
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0967 0.8342
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0167 0.1349 0.1349
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0065 0.0285 0.0228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.1579 0.1554
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.0285 0.0285
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0967 0.8188
Trichomonas vaginalis PIKK family atypical protein kinase 0.1001 1 1
Loa Loa (eye worm) phosphatidylinositol kinase 0.0065 0.0285 0.0285
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.1118 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1579 0.1579
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.0285 0.0244
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3098 0.3077
Trichomonas vaginalis PIKK family atypical protein kinase 0.054 0.5222 0.5208
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.1118 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0796 0.7875 0.7869
Mycobacterium tuberculosis Probable reductase 0.013 0.0967 0.8342
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0473 0.4526 0.441
Loa Loa (eye worm) glutathione reductase 0.0057 0.0208 0.0208
Leishmania major fk506-binding protein 1-like protein 0.0167 0.1349 0.1165
Plasmodium vivax hypothetical protein 0.0065 0.0285 0.0678
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0065 0.0285 0.0678
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3098 0.3077
Trichomonas vaginalis conserved hypothetical protein 0.0146 0.1133 0.1107
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1001 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.022 0.022
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1001 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0065 0.0285 0.0108
Loa Loa (eye worm) hypothetical protein 0.0125 0.0909 0.0909
Leishmania major phosphatidylinositol kinase, putative 0.0065 0.0285 0.0079
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.0465 0.0262
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0065 0.0285 0.0244
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0065 0.0285 0.0256
Trichomonas vaginalis PIKK family atypical protein kinase 0.065 0.6357 0.6346
Leishmania major phosphatidylinositol 3-kinase, putative 0.0336 0.3098 0.2951
Echinococcus multilocularis 0.0065 0.0285 0.0228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0796 0.7875 0.7869
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0336 0.3098 0.2951
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0967 0.8342
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0208 0.0208
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0065 0.0285 0.0256
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0336 0.3098 0.3057
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0146 0.1133 0.1081
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0336 0.3098 0.3068
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0167 0.1349 0.1165
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.0285 0.0256
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0065 0.0285 0.0079
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1001 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0598 0.582 0.5808
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0336 0.3098 0.3068
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0065 0.0285 0.0079
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.1118 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1001 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.1118 1
Leishmania major hypothetical protein, conserved 0.0065 0.0285 0.0079
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0065 0.0285 0.0244
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0099 0.0058
Trichomonas vaginalis PIKK family atypical protein kinase 0.0125 0.0909 0.0882
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0797 0.7884 0.7839
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0065 0.0285 0.0228
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0189 0.1579 0.1401
Trichomonas vaginalis PIKK family atypical protein kinase 0.0796 0.7875 0.7869
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0065 0.0285 0.0228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0189 0.1579 0.1554
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0065 0.0285 0.0108
Loa Loa (eye worm) hypothetical protein 0.0041 0.0042 0.0042
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0167 0.1349 0.1165
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0065 0.0285 0.0228
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0967 0.8342
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.7339 0.7331
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0065 0.0285 0.0079
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0065 0.0285 0.0079
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.0285 0.0228
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0797 0.7884 0.7839
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0099 0.0058
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0208 0.015
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0189 0.1579 0.1544
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0065 0.0285 0.0079
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1001 1 1
Loa Loa (eye worm) hypothetical protein 0.0146 0.1133 0.1133
Loa Loa (eye worm) CYP4Cod1 0.0082 0.0465 0.0465
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0167 0.1349 0.1298
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.0285 0.0285
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0208 0.015
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1001 1 1
Echinococcus multilocularis Zinc finger, PHD finger 0.0065 0.0285 0.0228
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0167 0.1349 0.1095
Toxoplasma gondii FATC domain-containing protein 0.0189 0.1579 0.1923
Echinococcus granulosus DNA dependent protein kinase catalytic subunit 0.0065 0.0285 0.0228
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0065 0.0285 0.0678
Trypanosoma cruzi target of rapamycin kinase 3 0.0797 0.7884 0.7839
Trichomonas vaginalis PIKK family atypical protein kinase 0.0539 0.5214 0.52
Trichomonas vaginalis PIKK family atypical protein kinase 0.0598 0.582 0.5808
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0065 0.0285 0.0256
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0189 0.1579 0.1332
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0336 0.3098 0.3057
Schistosoma mansoni immunophilin 0.0144 0.111 0.1073
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0065 0.0285 0.0256
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0144 0.111 0.1058
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1001 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0167 0.1349 0.1298
Loa Loa (eye worm) hypothetical protein 0.0144 0.111 0.111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3098 0.3077
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0065 0.0285 0.0678
Loa Loa (eye worm) phosphatidylinositol 3 0.1001 1 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.0285 0.0256
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0065 0.0285 0.0256
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0065 0.0285 0.0285
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0416 0.3928 0.38
Brugia malayi Thioredoxin reductase 0.0057 0.0208 0.0166
Loa Loa (eye worm) phosphatidylinositol 3 0.0336 0.3098 0.3098
Trichomonas vaginalis conserved hypothetical protein 0.0125 0.0909 0.0882
Brugia malayi MH2 domain containing protein 0.0144 0.1111 0.1074
Loa Loa (eye worm) cytochrome P450 family protein 0.0082 0.0465 0.0465
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1001 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.0285 0.0285
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0336 0.3098 0.2951
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.0285 0.0244
Entamoeba histolytica protein kinase rad3, putative 0.0189 0.1579 0.1332
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.0285 0.0244
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.0285 0.0285
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1001 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0167 0.1349 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0065 0.0285 0.0244
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0167 0.1349 0.1165
Leishmania major phosphatidylinositol 4-kinase, putative 0.0065 0.0285 0.0079
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0285 0.0678
Leishmania major cytochrome p450-like protein 0.0082 0.0465 0.0262
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0065 0.0285 0.0079
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0189 0.1579 0.1529
Trichomonas vaginalis PIKK family atypical protein kinase 0.054 0.5222 0.5208
Toxoplasma gondii target of rapamycin (TOR), putative 0.0744 0.7339 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0167 0.1349 0.1298
Brugia malayi Cytochrome P450 family protein 0.0082 0.0465 0.0424
Trichomonas vaginalis PIKK family atypical protein kinase 0.0796 0.7875 0.7869
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0167 0.1349 0.1095
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0065 0.0285 0.0678
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0336 0.3098 0.2951
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0144 0.111 0.1058
Trichomonas vaginalis PIKK family atypical protein kinase 0.1001 1 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0967 0.8342
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0065 0.0285 0.0108
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0065 0.0285 0.0079
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0125 0.0909 0.0716
Trypanosoma brucei cytochrome P450, putative 0.0082 0.0465 0.0262
Trichomonas vaginalis PIKK family atypical protein kinase 0.0854 0.8481 0.8477
Brugia malayi Cytochrome P450 family protein 0.0082 0.0465 0.0424
Loa Loa (eye worm) phosphatidylinositol 3 0.0065 0.0285 0.0285
Echinococcus multilocularis fk506 binding protein 0.0167 0.1349 0.1298
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0189 0.1579 0.1529
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1111 0.1111
Trichomonas vaginalis PIKK family atypical protein kinase 0.0592 0.5759 0.5746
Trichomonas vaginalis PIKK family atypical protein kinase 0.0268 0.2401 0.2379
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0065 0.0285 0.0256
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0167 0.1349 0.1312
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0065 0.0285 0.0244
Loa Loa (eye worm) hypothetical protein 0.0204 0.1731 0.1731
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0167 0.1349 1
Schistosoma mansoni immunophilin 0.0167 0.1349 0.1312
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0065 0.0285 0.0079
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0065 0.0285 0.0256
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0189 0.1579 0.1544
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1001 1 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0189 0.1579 0.1401
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3098 0.3077
Loa Loa (eye worm) hypothetical protein 0.0065 0.0285 0.0285
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0065 0.0285 0.0228
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0167 0.1349 0.1323
Leishmania major hypothetical protein, unknown function 0.0065 0.0285 0.0079
Brugia malayi FAT domain containing protein 0.0146 0.1133 0.1096
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.0285 0.0228
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0065 0.0285 0.0244
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0065 0.0285 0.0228
Loa Loa (eye worm) hypothetical protein 0.0211 0.1803 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0336 0.3098 0.3077
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0065 0.0285 0.0256
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0336 0.3098 0.2951
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.024 0.024
Echinococcus granulosus serine protein kinase ATM 0.0189 0.1579 0.1529
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0065 0.0285 0.0228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0592 0.5759 0.5746
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.0285 0.0256
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1111 0.1111
Schistosoma mansoni immunophilin 0.0167 0.1349 0.1312
Loa Loa (eye worm) FKBP5 protein 0.0167 0.1349 0.1349
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.0285 0.0228
Trichomonas vaginalis PIKK family atypical protein kinase 0.0539 0.5214 0.52
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0065 0.0285 0.0079
Trichomonas vaginalis immunophilin, putative 0.0167 0.1349 0.1323
Trypanosoma cruzi cytochrome P450, putative 0.0082 0.0465 0.0262
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0167 0.1349 0.1323
Trichomonas vaginalis PIKK family atypical protein kinase 0.0598 0.582 0.5808
Leishmania major peptidylprolyl isomerase-like protein 0.0167 0.1349 0.1165
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0065 0.0285 0.0228
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0059 0.0059
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0065 0.0285 0.0256
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0065 0.0285 0.0108
Schistosoma mansoni hypothetical protein 0.0146 0.1133 0.1096
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0167 0.1349 1
Loa Loa (eye worm) hypothetical protein 0.006 0.024 0.024
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0167 0.1349 0.1312
Trichomonas vaginalis PIKK family atypical protein kinase 0.054 0.5222 0.5208
Echinococcus multilocularis serine protein kinase ATM 0.0189 0.1579 0.1529
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0065 0.0285 0.0244
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0065 0.0285 0.0678
Trichomonas vaginalis PIKK family atypical protein kinase 0.0744 0.7339 0.7331
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1001 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.4668 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) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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