Detailed information for compound 1303843

Basic information

Technical information
  • TDR Targets ID: 1303843
  • Name: 3-bromo-5-(5-bromofuran-2-yl)-N-(oxolan-2-ylm ethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyri midine-2-carboxamide
  • MW: 538.113 | Formula: C17H13Br2F3N4O3
  • H donors: 1 H acceptors: 3 LogP: 3.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(o1)c1cc(n2c(n1)c(Br)c(n2)C(=O)NCC1CCCO1)C(F)(F)F
  • InChi: 1S/C17H13Br2F3N4O3/c18-12-4-3-10(29-12)9-6-11(17(20,21)22)26-15(24-9)13(19)14(25-26)16(27)23-7-8-2-1-5-28-8/h3-4,6,8H,1-2,5,7H2,(H,23,27)
  • InChiKey: UNLMURRVYQKQGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-bromo-5-(5-bromo-2-furyl)-N-(tetrahydrofuran-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
  • 3-bromo-5-(5-bromo-2-furyl)-N-(2-tetrahydrofuranylmethyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
  • 3-bromo-5-(5-bromo-2-furyl)-N-(tetrahydrofurfuryl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
  • A1995/0083812

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens peptidylprolyl cis/trans isomerase, NIMA-interacting 1 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni rotamase Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium yoelii 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
Theileria parva peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Babesia bovis thiodoxin 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
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania braziliensis peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium vivax glutathione 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 vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K09578 peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis expressed protein Get druggable targets OG5_128367 All targets in OG5_128367
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans peptidylprolyl cis/trans isomerase isolated by functional complementation of S. cerevisiae ESS1 (YJR017C) which interacts with t Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii peptidylprolyl isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin 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
Plasmodium knowlesi glutathione reductase, putative 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 falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma brucei gambiense peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis rotamase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione 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
Leishmania mexicana peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_128367 All targets in OG5_128367
Echinococcus multilocularis thioredoxin glutathione 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
Neospora caninum peptidyl-prolyl cis-trans isomerase NIMA- interacting 1, putative Get druggable targets OG5_128367 All targets in OG5_128367
Theileria parva thioredoxin 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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis peptidyl-prolyl cis-trans isomerase, putative Get druggable targets OG5_128367 All targets in OG5_128367
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase Get druggable targets OG5_128367 All targets in OG5_128367
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
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 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 483 aa 23.0 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.2 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Leishmania major peptidyl-prolyl cis-trans isomerase, putative peptidylprolyl cis/trans isomerase, NIMA-interacting 1 163 aa 133 aa 27.8 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
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 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax glutathione reductase, putative 0.0103 0.2863 1
Brugia malayi Thioredoxin reductase 0.0103 0.2863 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0103 0.2863 0.3349
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.012 0.0421
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0986 0.2515
Leishmania major DNA polymerase eta, putative 0.0023 0.0349 0.122
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0036 0.0739 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0036 0.0739 0.258
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0036 0.0739 0.0519
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0234 0.7028 0.8898
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0261 0.7856 1
Entamoeba histolytica hypothetical protein 0.0043 0.0986 1
Toxoplasma gondii NADPH-glutathione reductase 0.0036 0.0739 0.258
Leishmania major DNA polymerase kappa, putative 0.0023 0.0349 0.122
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0349 0.122
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0739 0.258
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0039 0.0858 0.2996
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1359 0.1047
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Echinococcus multilocularis thioredoxin glutathione reductase 0.0103 0.2883 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0234 0.7028 0.8898
Brugia malayi hypothetical protein 0.0043 0.0986 0.2534
Plasmodium falciparum glutathione reductase 0.0103 0.2863 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1359 0.3987
Plasmodium vivax thioredoxin reductase, putative 0.0103 0.2863 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0986 0.2515
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Schistosoma mansoni rotamase 0.004 0.0888 0.0558
Trypanosoma brucei unspecified product 0.0016 0.012 0.0421
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1359 0.3987
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.012 0.0421
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0036 0.0739 0.1537
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0039 0.0858 0.7984
Trypanosoma cruzi trypanothione reductase, putative 0.0036 0.0739 0.258
Giardia lamblia NADH oxidase lateral transfer candidate 0.0036 0.0739 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0739 0.258
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0349 0.122
Brugia malayi glutathione reductase 0.0103 0.2863 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.004 0.0888 0.2143
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0349 0.122
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0349 0.122
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0036 0.0739 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0026 0.044 0.036
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0036 0.0739 0.258
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1359 0.1047
Leishmania major trypanothione reductase 0.0103 0.2863 1
Plasmodium falciparum thioredoxin reductase 0.0103 0.2863 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0349 0.122
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0234 0.7028 0.8898
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0036 0.0739 0.0404
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1359 0.3987
Echinococcus granulosus thioredoxin glutathione reductase 0.0103 0.2883 1
Trypanosoma brucei trypanothione reductase 0.0103 0.2863 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0858 0.2996
Loa Loa (eye worm) thioredoxin reductase 0.0103 0.2863 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0036 0.0739 0.258
Trichomonas vaginalis mercuric reductase, putative 0.0036 0.0739 0.7229
Mycobacterium tuberculosis Probable reductase 0.0234 0.7028 0.8898
Trichomonas vaginalis rotamase, putative 0.004 0.0888 1
Trichomonas vaginalis rotamase, putative 0.0039 0.0858 0.9442
Toxoplasma gondii peptidylprolyl isomerase 0.0039 0.0858 0.2996
Toxoplasma gondii thioredoxin reductase 0.0103 0.2863 1
Treponema pallidum NADH oxidase 0.0036 0.0739 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0261 0.7856 1
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0349 0.122
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Schistosoma mansoni hypothetical protein 0.0043 0.0986 0.066
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Entamoeba histolytica hypothetical protein 0.0043 0.0986 1
Echinococcus granulosus expressed protein 0.004 0.0888 0.2126
Trypanosoma brucei unspecified product 0.0016 0.012 0.0421
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Loa Loa (eye worm) glutathione reductase 0.0103 0.2863 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0039 0.0858 0.2996
Entamoeba histolytica hypothetical protein 0.0043 0.0986 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0039 0.0858 0.2996
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0261 0.7856 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0349 0.122
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0036 0.0739 0.258
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0739 1
Trypanosoma cruzi trypanothione reductase, putative 0.0103 0.2863 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.012 0.0421
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1359 0.3987
Entamoeba histolytica hypothetical protein 0.0043 0.0986 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0036 0.0739 0.258
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0036 0.0739 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Trypanosoma brucei unspecified product 0.0023 0.0349 0.122
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.004 0.0888 0.2143
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0026 0.044 0.036
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0349 0.122
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0234 0.7028 0.8898
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1359 0.4018
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0036 0.0739 0.258
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0036 0.0739 0.258
Trichomonas vaginalis glutathione reductase, putative 0.0036 0.0739 0.7229
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0349 0.122
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0349 0.122
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0986 0.066
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1359 0.1047
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0036 0.0739 0.1537
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Echinococcus multilocularis expressed protein 0.004 0.0888 0.2126
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0036 0.0739 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0036 0.0739 0.5
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0036 0.0739 0.1549
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0234 0.7028 0.8898
Mycobacterium tuberculosis Probable oxidoreductase 0.0261 0.7856 1
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0888 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1359 0.4018
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0036 0.0739 0.258
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0349 0.122

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.636 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 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) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 125.8925 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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