Detailed information for compound 1326227

Basic information

Technical information
  • TDR Targets ID: 1326227
  • Name: 2-[(2-fluorophenyl)methyl]-6-(furan-2-ylmethy l)-4-methyl-7,8-dihydropurino[8,7-b]imidazole -1,3-dione
  • MW: 395.387 | Formula: C20H18FN5O3
  • H donors: 0 H acceptors: 3 LogP: 1.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccccc1Cn1c(=O)c2n3CCN(c3nc2n(c1=O)C)Cc1ccco1
  • InChi: 1S/C20H18FN5O3/c1-23-17-16(18(27)26(20(23)28)11-13-5-2-3-7-15(13)21)25-9-8-24(19(25)22-17)12-14-6-4-10-29-14/h2-7,10H,8-9,11-12H2,1H3
  • InChiKey: OHLIWMHSFWNLPG-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(2-fluorophenyl)methyl]-6-(2-furylmethyl)-4-methyl-7,8-dihydropurino[8,7-b]imidazole-1,3-dione
  • 2-(2-fluorobenzyl)-6-(2-furylmethyl)-4-methyl-7,8-dihydropurino[8,7-b]imidazole-1,3-quinone
  • ZINC03015590
  • STOCK5S-95342
  • 3-(2-fluorobenzyl)-8-(2-furylmethyl)-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
  • MLS000621178
  • SMR000310345
  • UNM000003632401

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens EYA transcriptional coactivator and phosphatase 2 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K01104 protein-tyrosine phosphatase [EC3.1.3.48], putative Get druggable targets OG5_129664 All targets in OG5_129664
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) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei glutathione 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
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Plasmodium knowlesi thioredoxin 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
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania mexicana trypanothione 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
Schistosoma mansoni eyes absent homolog Get druggable targets OG5_129664 All targets in OG5_129664
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii thioredoxin 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
Brugia malayi glutathione 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
Brugia malayi hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum thioredoxin reductase 1 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 aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) 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
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129664 All targets in OG5_129664
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium yoelii glutathione 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium yoelii 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
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma congolense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, point mutation,acetoin dehydrogenase e3 component, putative Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.3 %
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 22.5 %
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 483 aa 23.0 %
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.2 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 454 aa 25.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.3 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Leishmania donovani acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 529 aa 31.8 %
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 yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.9 %
Plasmodium berghei dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 26.9 %
Leishmania major acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Leishmania mexicana 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 452 aa 25.7 %
Onchocerca volvulus Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 57.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
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 483 aa 23.0 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin reductase 1, cytoplasmic   499 aa 506 aa 23.7 %
Leishmania braziliensis 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 450 aa 25.6 %
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 %
Leishmania infantum acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 497 aa 24.1 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin reductase 1, cytoplasmic   499 aa 464 aa 24.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 490 aa 23.5 %
Neospora caninum hypothetical protein Thioredoxin reductase 1, cytoplasmic   499 aa 448 aa 27.0 %
Neospora caninum glutathione reductase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 32.7 %
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 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.02 0.0188
Schistosoma mansoni glutaminase 0.033 0.0527 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0074 0.1648
Mycobacterium ulcerans glycosyltransferase 0.0038 0.0012 0.001
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0091 0.1731
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.0178 0.0166
Brugia malayi glutathione reductase 0.0057 0.0045 0.0859
Loa Loa (eye worm) hypothetical protein 0.0106 0.0132 0.251
Onchocerca volvulus 0.0083 0.0091 0.2372
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5702 1 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0159 0.0225 0.4276
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.02 0.0188
Loa Loa (eye worm) thymidylate synthase 0.0113 0.0144 0.2736
Treponema pallidum sodium- and chloride- dependent transporter 0.0159 0.0225 0.3553
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.0045 0.0859
Onchocerca volvulus 0.0159 0.0225 0.5858
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.02 0.0188
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0083 0.0091 0.0089
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0091 0.398
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.0045 0.0033
Loa Loa (eye worm) hypothetical protein 0.0083 0.0091 0.1731
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.018 0.0263 0.1392
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0074 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0039 0.0707
Echinococcus multilocularis dihydrofolate reductase 0.0046 0.0026 0.0579
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0113 0.0144 0.0132
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.0174 0.0163
Mycobacterium ulcerans glutaminase 0.033 0.0527 0.0524
Brugia malayi Thioredoxin reductase 0.0057 0.0045 0.0859
Trichomonas vaginalis set domain proteins, putative 0.0249 0.0384 0.7287
Onchocerca volvulus 0.0058 0.0047 0.123
Loa Loa (eye worm) serotonin transporter b 0.0159 0.0225 0.4276
Trichomonas vaginalis glutaminase, putative 0.033 0.0527 1
Echinococcus granulosus serotonin transporter 0.0159 0.0225 0.5025
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0074 0.1403
Loa Loa (eye worm) hypothetical protein 0.0159 0.0225 0.4276
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0159 0.0225 1
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0083 0.0091 0.1731
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.0331 0.6286
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.0174 0.0163
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0297 0.0468 1
Loa Loa (eye worm) solute carrier family 6 member 4 0.0159 0.0225 0.4276
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0083 0.0091 0.1693
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0782 0.1323 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0033 0.0002 0.0054
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0159 0.0225 0.4276
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.0045 0.192
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0074 0.1648
Schistosoma mansoni eyes absent homolog 0.0106 0.0132 0.251
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5702 1 1
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0083 0.0091 0.398
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0083 0.0091 0.398
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0083 0.0091 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.0225 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0159 0.0225 1
Giardia lamblia Cysteinyl-tRNA synthetase 0.0083 0.0091 1
Brugia malayi dihydrofolate reductase family protein 0.0046 0.0026 0.0492
Loa Loa (eye worm) glutaminase 2 0.033 0.0527 1
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0782 0.1323 0.1312
Mycobacterium ulcerans thymidylate synthase 0.0113 0.0144 0.0142
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0782 0.1323 0.1321
Schistosoma mansoni hypothetical protein 0.0058 0.0047 0.0898
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.0002 0.0046
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.0174 0.0163
Chlamydia trachomatis cysteine--tRNA ligase 0.0083 0.0091 0.1475
Brugia malayi hypothetical protein 0.0106 0.0132 0.251
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0297 0.0468 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0046 0.0026 0.0014
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.0045 0.101
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0047 0.0898
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0159 0.0225 0.4276
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0083 0.0091 0.2035
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0159 0.0225 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.0448 1
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0113 0.0144 0.0132
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.0002 0.0046
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0046 0.0026 0.0014
Onchocerca volvulus 0.0249 0.0384 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.02 0.0188
Schistosoma mansoni dihydrofolate reductase 0.0046 0.0026 0.0492
Mycobacterium tuberculosis Probable reductase 0.013 0.0174 0.0163
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0159 0.0225 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0074 0.0071
Onchocerca volvulus 0.0033 0.0002 0.0063
Brugia malayi hypothetical protein 0.0054 0.0039 0.075
Echinococcus granulosus leucyl tRNA synthetase 0.0083 0.0091 0.2035
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.018 0.0263 0.4546
Loa Loa (eye worm) hypothetical protein 0.0106 0.0132 0.251
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0074 0.3276
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0091 0.398
Leishmania major trypanothione reductase 0.0057 0.0045 0.192
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0083 0.0091 0.1731
Loa Loa (eye worm) hypothetical protein 0.0286 0.0448 0.8508
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0033 0.0002 0.0046
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.0045 0.101
Schistosoma mansoni survival motor neuron protein 0.0058 0.0047 0.0898
Echinococcus granulosus cysteinyl tRNA synthetase 0.0083 0.0091 0.2035
Plasmodium falciparum glutathione reductase 0.0057 0.0045 0.192
Loa Loa (eye worm) glutaminase 0.033 0.0527 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0074 0.0071
Loa Loa (eye worm) glutathione reductase 0.0057 0.0045 0.0859
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0033 0.0002 0.0107
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0033 0.0002 0.0107
Loa Loa (eye worm) hypothetical protein 0.0159 0.0225 0.4276
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0083 0.0091 0.4044
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.013 0.0174 0.0163
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0074 0.0062
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0074 0.3203
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0033 0.0002 0.0054
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0132 0.0178 0.0166
Plasmodium vivax glutathione reductase, putative 0.0057 0.0045 0.2007
Plasmodium falciparum thioredoxin reductase 0.0057 0.0045 0.192
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0054 0.0039 0.1662
Toxoplasma gondii thioredoxin reductase 0.0057 0.0045 0.2007
Loa Loa (eye worm) norepinephrine transporter 0.0159 0.0225 0.4276
Mycobacterium tuberculosis Hypothetical protein 0.0054 0.0039 0.0028
Brugia malayi Pre-SET motif family protein 0.0219 0.0331 0.6286
Echinococcus multilocularis serotonin transporter 0.0159 0.0225 0.5025
Echinococcus multilocularis thymidylate synthase 0.0113 0.0144 0.3216
Plasmodium falciparum cysteine--tRNA ligase 0.0083 0.0091 0.398
Brugia malayi glutaminase DH11.1 0.033 0.0527 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0002 0.0046
Leishmania major cysteinyl-tRNA synthetase, putative 0.0083 0.0091 0.398
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0083 0.0091 0.1731
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0074 0.1403
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0782 0.1323 0.1312
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0046 0.0026 0.0024
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.0174 0.0163
Brugia malayi hypothetical protein 0.0286 0.0448 0.8508
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.018 0.0263 0.026
Echinococcus granulosus thymidylate synthase 0.0113 0.0144 0.3216
Loa Loa (eye worm) hypothetical protein 0.0159 0.0225 0.4276
Loa Loa (eye worm) dihydrofolate reductase 0.0046 0.0026 0.0492
Brugia malayi thymidylate synthase 0.0113 0.0144 0.2736
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.0448 1
Trypanosoma brucei trypanothione reductase 0.0057 0.0045 0.192
Onchocerca volvulus 0.0113 0.0144 0.3748
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.0174 0.0163
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.0045 0.2007
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0113 0.0144 0.2736
Plasmodium vivax cysteine--tRNA ligase, putative 0.0083 0.0091 0.4044
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.018 0.0263 0.535
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0159 0.0225 1
Brugia malayi Dihydrofolate reductase 0.0046 0.0026 0.0492
Echinococcus granulosus dihydrofolate reductase 0.0046 0.0026 0.0579

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0045 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.5623 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) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 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) 10.4179 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) 19.0148 uM PubChem BioAssay. qHTS for Inhibitors of the Phosphatase Activity of Eya2: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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