Detailed information for compound 1551422

Basic information

Technical information
  • TDR Targets ID: 1551422
  • Name: 5-[(4-methoxyphenyl)methyl]-4-oxo-N-propan-2- yl-6,7-dihydropyrazolo[5,1-c]pyrazine-2-carbo xamide
  • MW: 342.392 | Formula: C18H22N4O3
  • H donors: 1 H acceptors: 3 LogP: 1.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)CN1CCn2c(C1=O)cc(n2)C(=O)NC(C)C
  • InChi: 1S/C18H22N4O3/c1-12(2)19-17(23)15-10-16-18(24)21(8-9-22(16)20-15)11-13-4-6-14(25-3)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,19,23)
  • InChiKey: BJWZTJHKNDURSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-isopropyl-5-[(4-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[5,1-c]pyrazine-2-carboxamide
  • N-isopropyl-4-keto-5-(4-methoxybenzyl)-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
  • N-isopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
  • 12M-311S
  • MLS000720980
  • ZINC01404905
  • SMR000335532
  • Oprea1_800305

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei glutathione 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
Plasmodium yoelii thioredoxin 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
Plasmodium vivax glutathione 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
Cryptosporidium hominis thioredoxin 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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 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
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin 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
Plasmodium vivax thioredoxin reductase, putative 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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei 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
Theileria parva thioredoxin 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
Leishmania major trypanothione 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
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Glutathione reductase, related 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
Brugia malayi Thioredoxin 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
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 489 aa 22.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
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, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.2949 1
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.1601 0.1424
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.002 0.0643 0.0446
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.002 0.0643 0.1611
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0201 0.0719
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.7849 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0643 0.1707
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.057 0.1326
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.002 0.0643 0.033
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1707
Mycobacterium tuberculosis Probable reductase 0.013 0.7011 0.8849
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.2949 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.1601 1
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1601 0.5087
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0206 0.0021
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2949 0.28
Toxoplasma gondii thioredoxin reductase 0.0057 0.2794 0.9352
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0206 0.0021
Plasmodium falciparum glutathione reductase 0.0057 0.2794 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Onchocerca volvulus 0.0012 0.0206 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0206 0.0021
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0206 0.0021
Mycobacterium ulcerans flavoprotein disulfide reductase 0.002 0.0643 0.1611
Brugia malayi steroid hormone receptor 0.0012 0.0206 0.0021
Giardia lamblia NADH oxidase lateral transfer candidate 0.002 0.0643 0.0711
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1707
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.002 0.0643 0.1611
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.057 0.1424
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1707
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0206 0.0021
Brugia malayi Thioredoxin reductase 0.0057 0.2794 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0206 0.0738
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.057 0.1424
Leishmania major acetoin dehydrogenase e3 component-like protein 0.002 0.0643 0.1611
Plasmodium falciparum thioredoxin reductase 0.0057 0.2794 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2949 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.2794 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.2794 0.9438
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.7011 0.8849
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.002 0.0643 0.033
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0643 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0206 0.0021
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.1601 0.5097
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.1601 0.5087
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2949 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0206 0.0738
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0206 0.0021
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.1601 0.5087
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0015 0.0341 0.0539
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0206 0.0021
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.2949 0.3268
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.1601 0.54
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0206 0.0021
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0206 0.0021
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.7849 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.2949 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0206 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0206 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0206 0.0738
Leishmania major trypanothione reductase 0.0057 0.2794 0.9439
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1601 0.5087
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0206 0.0738
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0201 0.0719
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0206 0.0021
Trichomonas vaginalis mercuric reductase, putative 0.002 0.0643 0.0711
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.002 0.0643 0.1611
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1707
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0206 0.0738
Brugia malayi ecdysteroid receptor 0.0012 0.0206 0.0021
Schistosoma mansoni ap endonuclease 0.0019 0.057 0.0371
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.2794 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1611
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.0643 0.1707
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.2794 1
Brugia malayi nuclear hormone receptor 0.0012 0.0206 0.0021
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2949 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0206 0.0738
Loa Loa (eye worm) glutathione reductase 0.0057 0.2794 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0206 0.5
Treponema pallidum NADH oxidase 0.002 0.0643 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0015 0.0341 0.0539
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.0643 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.7011 0.8849
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.1601 1
Plasmodium falciparum thioredoxin reductase 0.002 0.0643 0.033
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.002 0.0643 0.033
Plasmodium vivax glutathione reductase, putative 0.0057 0.2794 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.2794 0.3056
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0206 0.0021
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.1601 0.5087
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.1601 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.057 0.1424
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2949 0.28
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1601 0.54
Plasmodium falciparum glutathione reductase 0.002 0.0643 0.033
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0206 0.0021
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0206 0.0738
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.0643 0.1707
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0643 0.1707
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.2949 1
Trypanosoma brucei trypanothione reductase 0.0057 0.2794 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.7011 0.8849
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.002 0.0643 0.1594
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.0643 0.1707
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1601 0.54
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.7849 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.002 0.0643 0.0308
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.057 0.1424
Brugia malayi glutathione reductase 0.0057 0.2794 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.1601 0.5087
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0206 0.0021
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1707
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1601 1
Toxoplasma gondii NADPH-glutathione reductase 0.002 0.0643 0.0308
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.057 0.1344
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.002 0.0643 0.033
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0206 0.0738
Loa Loa (eye worm) hypothetical protein 0.0012 0.0206 0.0738
Leishmania major dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1611
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.057 0.1344
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0206 0.0021
Schistosoma mansoni ap endonuclease 0.0019 0.057 0.0371
Trichomonas vaginalis glutathione reductase, putative 0.002 0.0643 0.0711
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.002 0.0643 0.0101
Brugia malayi nuclear receptor NHR-88 0.0012 0.0206 0.0021
Loa Loa (eye worm) hypothetical protein 0.0036 0.1601 0.5731
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.002 0.0643 0.1707
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.7011 0.8849
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0206 0.0021
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.2794 0.9438
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0201 0.0719
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.057 0.204
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.1601 0.1424
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.002 0.0643 0.1594
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.057 0.1326
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.002 0.0643 0.1707
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.0643 0.1707
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.1601 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.0643 0.5
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.7011 0.8849
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.1601 0.54
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.7849 1
Trypanosoma cruzi trypanothione reductase, putative 0.002 0.0643 0.1707

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.2944 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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