Detailed information for compound 758481

Basic information

Technical information
  • TDR Targets ID: 758481
  • Name: NCGC00100452-01
  • MW: 459.54 | Formula: C26H29N5O3
  • H donors: 1 H acceptors: 2 LogP: 1.9 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCn1c(=N)c(cc2c1nc1ccc(cn1c2=O)C)C(=O)NC(c1ccccc1)C
  • InChi: 1S/C26H29N5O3/c1-4-34-14-8-13-30-23(27)20(25(32)28-18(3)19-9-6-5-7-10-19)15-21-24(30)29-22-12-11-17(2)16-31(22)26(21)33/h5-7,9-12,15-16,18,27H,4,8,13-14H2,1-3H3,(H,28,32)
  • InChiKey: LWBYOZUMJGWMHS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase 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
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Cryptosporidium hominis thioredoxin 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
Neospora caninum MGC84926 protein, related 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 donovani 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 thioredoxin glutathione 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 berghei 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
Plasmodium vivax thioredoxin reductase, putative 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 mexicana 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
Brugia malayi glutathione 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
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Theileria parva 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
Plasmodium falciparum thioredoxin 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 knowlesi 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione 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
Trypanosoma brucei 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
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
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 483 aa 23.0 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
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 540 aa 23.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
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 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
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 braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1329 1 1
Leishmania major cytochrome p450-like protein 0.0021 0.0044 0.0044
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0032 0.0032
Echinococcus granulosus farnesyl pyrophosphate synthase 0.1329 1 1
Brugia malayi Cytochrome P450 family protein 0.0033 0.013 0.013
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0113 0.0113
Leishmania major hypothetical protein, conserved 0.0038 0.0169 0.0169
Loa Loa (eye worm) CYP4Cod1 0.0021 0.0044 0.0044
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.1329 1 1
Brugia malayi glutathione reductase 0.0057 0.0316 0.0316
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0335 0.2435 0.2435
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0032 0.0032
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0113 0.0113
Brugia malayi hypothetical protein 0.003 0.0113 0.0113
Schistosoma mansoni ap endonuclease 0.0019 0.003 0.003
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0335 0.2435 0.2435
Onchocerca volvulus 0.0149 0.1015 0.5
Mycobacterium tuberculosis Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase) 0.0335 0.2435 0.2435
Brugia malayi hypothetical protein 0.002 0.0031 0.0031
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Plasmodium falciparum thioredoxin reductase 0.002 0.0032 0.0032
Mycobacterium ulcerans polyprenyl diphosphate synthetase, GrcC1 0.0335 0.2435 0.2412
Brugia malayi Cytochrome P450 family protein 0.0021 0.0044 0.0044
Plasmodium falciparum glutathione reductase 0.002 0.0032 0.0032
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.0984 0.0709
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1329 1 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.003 0.003
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.1329 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0113 0.0113
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0335 0.2435 0.2435
Loa Loa (eye worm) hypothetical protein 0.0149 0.1015 0.1015
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0316 0.0316
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.0984 0.0984
Loa Loa (eye worm) hepatopoietin HPO2 0.0038 0.0169 0.0169
Toxoplasma gondii exonuclease III APE 0.0019 0.003 0.003
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0335 0.2435 0.2435
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0032 0.0002
Schistosoma mansoni farnesyl pyrophosphate synthase 0.1329 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0032 0.0032
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0335 0.2435 0.2435
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0038 0.0169 0.0169
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0032 0.0009
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0335 0.2435 0.2435
Brugia malayi Augmenter of liver regeneration 0.0038 0.0169 0.0169
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0335 0.2435 0.2435
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0316 0.0316
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.003 0.003
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0032 0.0002
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0032 0.0002
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0335 0.2435 0.2435
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0335 0.2435 0.2435
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.003 0.003
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0044 0.0044
Plasmodium falciparum glutathione reductase 0.0057 0.0316 0.0316
Mycobacterium tuberculosis Probable reductase 0.013 0.0873 0.0873
Brugia malayi Thioredoxin reductase 0.0057 0.0316 0.0316
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0032 0.0032
Plasmodium vivax glutathione reductase, putative 0.0057 0.0316 0.0316
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0335 0.2435 1
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0335 0.2435 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.0984 0.0984
Giardia lamblia Farnesyl diphosphate synthase 0.1329 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.1329 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0335 0.2435 1
Loa Loa (eye worm) polyprenyl synthetase 0.0335 0.2435 0.2435
Trypanosoma cruzi polyprenyl synthase, putative 0.0335 0.2435 0.2435
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0032 0.0032
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0038 0.0169 0.0169
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0335 0.2435 0.2435
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0335 0.2435 0.2435
Brugia malayi Polyprenyl synthetase family protein 0.0335 0.2435 0.2435
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.003 0.003
Toxoplasma gondii Erv1 / Alr family protein 0.0038 0.0169 0.0169
Trypanosoma brucei trypanothione reductase 0.0057 0.0316 0.0316
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0038 0.0169 0.0169
Mycobacterium tuberculosis Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate 0.0335 0.2435 0.2435
Brugia malayi Cytochrome P450 family protein 0.0021 0.0044 0.0044
Schistosoma mansoni trans-prenyltransferase 0.0335 0.2435 0.2435
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.0984 0.0984
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.1329 1 1
Toxoplasma gondii Erv1 / Alr family protein 0.0038 0.0169 0.0169
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.1329 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0873 0.0873
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.1329 1 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0032 0.0032
Treponema pallidum NADH oxidase 0.002 0.0032 0.0009
Mycobacterium ulcerans polyprenyl synthetase IdsB 0.0335 0.2435 0.2412
Echinococcus granulosus geminin 0.0711 0.5294 0.5294
Schistosoma mansoni glutathione synthetase 0.0335 0.2435 0.2435
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0044 0.0044
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0032 0.0032
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0032 0.0032
Trypanosoma brucei cytochrome P450, putative 0.0021 0.0044 0.0044
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0335 0.2435 1
Loa Loa (eye worm) polyprenyl synthetase 0.1329 1 1
Plasmodium falciparum thioredoxin reductase 0.0057 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0711 0.5294 0.5294
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0032 0.0032
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.003 0.003
Leishmania major farnesyl pyrophosphate synthase 0.1329 1 1
Loa Loa (eye worm) glutathione reductase 0.0057 0.0316 0.0316
Toxoplasma gondii thioredoxin reductase 0.0057 0.0316 0.0316
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0316 0.0316
Leishmania major solanesyl-diphosphate synthase, putative 0.0335 0.2435 0.2435
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0032 0.0032
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.003 0.003
Echinococcus multilocularis geminin 0.0711 0.5294 0.5294
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0032 0.0032
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0873 0.0873
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0873 0.0873
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0032 0.0032
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0113 0.0113
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0873 0.0873
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0038 0.0169 0.0169
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Mycobacterium tuberculosis Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase) 0.0335 0.2435 0.2435
Leishmania major trypanothione reductase 0.0057 0.0316 0.0316
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0032 0.0002
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0032 0.0002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0044 0.0044
Leishmania major polyprenyl synthase, putative 0.0335 0.2435 0.2435
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0038 0.0169 0.0169
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0335 0.2435 0.2435
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0335 0.2435 0.2435
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0038 0.0169 0.0169
Schistosoma mansoni ap endonuclease 0.0019 0.003 0.003
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.003 0.003
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.1329 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0316 0.0316
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.1329 1 1
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0038 0.0169 0.0169
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0032 0.0032
Brugia malayi hypothetical protein 0.0149 0.1015 0.1015
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.084 0.6282 0.6282
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0032 0.0032
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0021 0.0044 0.0014
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.003 0.003
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0316 0.0316
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0032 0.0032
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.1329 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0113 0.0113
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0335 0.2435 0.2435
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0032 0.0032
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0113 0.0113
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0032 0.0032
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.003 0.003
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0032 0.0009
Treponema pallidum octaprenyl-diphosphate synthase 0.0335 0.2435 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0335 0.2435 1
Leishmania major hypothetical protein, conserved 0.003 0.0113 0.0113
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0038 0.0169 0.0169
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0335 0.2435 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0033 0.013 0.013
Trypanosoma brucei farnesyl pyrophosphate synthase 0.1329 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0316 0.0316
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0032 0.0032
Trypanosoma cruzi polyprenyl synthase, putative 0.0335 0.2435 0.2435
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0335 0.2435 0.2435
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.003 0.003
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0113 0.0113
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0335 0.2435 0.2435
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0032 0.0002
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.1329 1 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0711 0.5294 0.5294
Trypanosoma cruzi cytochrome P450, putative 0.0021 0.0044 0.0044
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0032 0.0032
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0335 0.2435 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0873 0.0873
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0113 0.0113
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0032 0.0032
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0032 0.0032

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1.9953 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 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) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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