Detailed information for compound 1456036

Basic information

Technical information
  • TDR Targets ID: 1456036
  • Name: 2-(7-cyclopropyl-3-methyl-2,4-dioxo-1-propylp yrimido[6,5-d]pyrimidin-5-yl)sulfanyl-N-(fura n-2-ylmethyl)acetamide
  • MW: 429.493 | Formula: C20H23N5O4S
  • H donors: 1 H acceptors: 5 LogP: 1.68 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCn1c2nc(nc(c2c(=O)n(c1=O)C)SCC(=O)NCc1ccco1)C1CC1
  • InChi: 1S/C20H23N5O4S/c1-3-8-25-17-15(19(27)24(2)20(25)28)18(23-16(22-17)12-6-7-12)30-11-14(26)21-10-13-5-4-9-29-13/h4-5,9,12H,3,6-8,10-11H2,1-2H3,(H,21,26)
  • InChiKey: CUWJXUKWMACTNH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(7-cyclopropyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[6,5-d]pyrimidin-5-yl)sulfanyl-N-(2-furylmethyl)acetamide
  • 2-[(7-cyclopropyl-3-methyl-2,4-dioxo-1-propyl-5-pyrimido[6,5-d]pyrimidinyl)thio]-N-(2-furylmethyl)acetamide
  • 2-[(7-cyclopropyl-2,4-diketo-3-methyl-1-propyl-pyrimido[6,5-d]pyrimidin-5-yl)thio]-N-(2-furylmethyl)acetamide
  • 2-(7-cyclopropyl-3-methyl-2,4-dioxo-1-propyl-pyrimido[6,5-d]pyrimidin-5-yl)sulfanyl-N-(furan-2-ylmethyl)ethanamide
  • MLS000566420
  • T5326278
  • SMR000153505
  • ZINC03353440

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), beta Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 4 Starlite/ChEMBL No references
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium falciparum 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 yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative Get druggable targets OG5_130965 All targets in OG5_130965
Trypanosoma congolense 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 gambiense mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Neospora caninum Glutathione reductase, 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
Trypanosoma brucei 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
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin 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
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana mitochondrial DNA polymerase beta Get druggable targets OG5_130965 All targets in OG5_130965
Mycobacterium tuberculosis Conserved hypothetical protein Get druggable targets OG5_130965 All targets in OG5_130965
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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 vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 518 aa 24.9 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 540 aa 23.3 %
Leishmania mexicana acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 24.4 %
Trypanosoma 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 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 %
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 483 aa 23.0 %
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 460 aa 25.4 %
Trypanosoma brucei dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 492 aa 23.4 %
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 %
Plasmodium falciparum glutathione reductase Thioredoxin reductase 1, cytoplasmic   499 aa 500 aa 32.2 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.5 %
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 %
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 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, mitochondrial, putative Thioredoxin reductase 1, cytoplasmic   499 aa 462 aa 25.8 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.5 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 519 aa 23.7 %
Leishmania braziliensis dihydrolipoamide dehydrogenase Thioredoxin reductase 1, cytoplasmic   499 aa 488 aa 21.9 %
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative polymerase (DNA directed), beta 335 aa 303 aa 32.3 %
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania infantum dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial Thioredoxin reductase 1, cytoplasmic   499 aa 465 aa 27.3 %
Plasmodium falciparum thioredoxin reductase Thioredoxin reductase 1, cytoplasmic   499 aa 511 aa 45.2 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin reductase 1, cytoplasmic   499 aa 539 aa 22.3 %
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 22.3 %
Trypanosoma congolense dihydrolipoamide dehydrogenase, point mutation, putative Thioredoxin reductase 1, cytoplasmic   499 aa 489 aa 22.7 %
Leishmania braziliensis acetoin dehydrogenase e3 component-like protein Thioredoxin reductase 1, cytoplasmic   499 aa 499 aa 22.8 %
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 donovani dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 466 aa 20.6 %
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 %
Trypanosoma brucei gambiense dihydrolipoamide dehydrogenase, putative Thioredoxin reductase 1, cytoplasmic   499 aa 491 aa 23.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei hexokinase 0.0341 0.9332 0.933
Echinococcus granulosus dna polymerase kappa 0.0023 0.025 0.0109
Leishmania major DNA polymerase eta, putative 0.0054 0.1129 0.0994
Brugia malayi Hexokinase family protein 0.0341 0.9332 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Loa Loa (eye worm) hexokinase 0.0341 0.9332 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0057 0.1216 0.116
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0062 0.137 0.1238
Brugia malayi Hexokinase family protein 0.0214 0.57 0.6108
Leishmania major trypanothione reductase 0.0057 0.1216 0.1082
Loa Loa (eye worm) hexokinase 0.0341 0.9332 1
Brugia malayi hexokinase 0.0341 0.9332 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.025 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0145 0.372 0.7254
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.013 0.3305 0.6411
Loa Loa (eye worm) hexokinase type II 0.0341 0.9332 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Echinococcus granulosus thioredoxin glutathione reductase 0.0057 0.1216 0.116
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0145 0.372 1
Leishmania major DNA polymerase eta, putative 0.0038 0.067 0.0528
Echinococcus granulosus dna polymerase eta 0.0054 0.1129 0.1066
Schistosoma mansoni hexokinase 0.0341 0.9332 1
Echinococcus multilocularis hexokinase type 2 0.0341 0.9332 1
Leishmania major hexokinase, putative 0.0341 0.9332 0.9322
Loa Loa (eye worm) hypothetical protein 0.0109 0.2684 0.268
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.013 0.3305 0.6411
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.067 0.0528
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0365 1 1
Brugia malayi Hexokinase family protein 0.0106 0.2601 0.2787
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.025 0.0109
Loa Loa (eye worm) hypothetical protein 0.0218 0.581 0.6122
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.002 0.015 0.0161
Mycobacterium tuberculosis Conserved hypothetical protein 0.0192 0.5071 1
Echinococcus multilocularis dna polymerase eta 0.0054 0.1129 0.1066
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.013 0.3305 0.6411
Brugia malayi hexokinase type II 0.0109 0.2684 0.2876
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1049 0.0913
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.025 0.0102
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.1129 0.121
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.025 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Plasmodium vivax glutathione reductase, putative 0.0057 0.1216 0.116
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0051 0.1049 0.0913
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.0102
Mycobacterium tuberculosis Probable reductase 0.013 0.3305 0.6411
Echinococcus multilocularis hexokinase 0.0341 0.9332 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.025 0.0204
Entamoeba histolytica hexokinase 2 0.0341 0.9332 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.0102
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.025 0.0204
Toxoplasma gondii thioredoxin reductase 0.0057 0.1216 0.116
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0173 0.4514 0.449
Schistosoma mansoni DNA polymerase eta 0.0054 0.1129 0.1066
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0057 0.1216 0.2165
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.025 0.0207
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4514 0.4431
Plasmodium vivax thioredoxin reductase, putative 0.0057 0.1216 0.116
Toxoplasma gondii hexokinase 0.0341 0.9332 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0145 0.372 0.7254
Treponema pallidum hexokinase (hxk) 0.0341 0.9332 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.067 0.0566
Leishmania major hexokinase, putative 0.0341 0.9332 0.9322
Mycobacterium ulcerans hypothetical protein 0.0192 0.5071 1
Loa Loa (eye worm) thioredoxin reductase 0.0057 0.1216 0.1063
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.015 0.5
Brugia malayi glutathione reductase 0.0057 0.1216 0.1302
Loa Loa (eye worm) hypothetical protein 0.0109 0.2684 0.268
Echinococcus multilocularis dna polymerase kappa 0.0023 0.025 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.1129 0.109
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0173 0.4514 0.4431
Echinococcus multilocularis hexokinase 0.0341 0.9332 1
Echinococcus granulosus hexokinase 0.0341 0.9332 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Plasmodium vivax hexokinase, putative 0.0341 0.9332 1
Echinococcus granulosus hexokinase 0.0341 0.9332 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.581 0.0304
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.025 0.0207
Entamoeba histolytica hexokinase 1 0.0341 0.9332 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.002 0.015 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.025 0.0109
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.015 0.0107
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.002 0.015 0.0107
Loa Loa (eye worm) hexokinase 0.0106 0.2601 0.2588
Loa Loa (eye worm) hypothetical protein 0.0054 0.1129 0.0967
Loa Loa (eye worm) glutathione reductase 0.0057 0.1216 0.1063
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.1129 0.0994
Trypanosoma brucei unspecified product 0.0023 0.025 0.0207
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.025 0.0204
Plasmodium falciparum hexokinase 0.0341 0.9332 1
Plasmodium falciparum glutathione reductase 0.0057 0.1216 0.116
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Trypanosoma cruzi hexokinase, putative 0.0341 0.9332 0.9322
Onchocerca volvulus 0.0341 0.9332 1
Onchocerca volvulus 0.0341 0.9332 1
Echinococcus granulosus hexokinase type 2 0.0341 0.9332 1
Trypanosoma brucei trypanothione reductase 0.0057 0.1216 0.1177
Trypanosoma brucei hexokinase 0.0341 0.9332 0.933
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0051 0.1049 0.101
Mycobacterium tuberculosis Probable dehydrogenase 0.013 0.3305 0.6411
Mycobacterium tuberculosis Putative ferredoxin reductase 0.013 0.3305 0.6411
Trypanosoma cruzi hexokinase, putative 0.0341 0.9332 0.9322
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.025 0.0204
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0145 0.372 0.7254
Giardia lamblia DINP protein human, muc B family 0.0023 0.025 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.002 0.015 0.0107
Echinococcus granulosus hexokinase 0.0341 0.9332 1
Brugia malayi N-terminal motif family protein 0.0218 0.581 0.6226
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.025 0.0268
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.025 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0365 1 1
Echinococcus multilocularis hexokinase 0.0341 0.9332 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.025 0.0207
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.025 0.0109
Loa Loa (eye worm) hexokinase 0.0214 0.57 0.6001
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.002 0.015 0.0107
Trypanosoma brucei hexokinase, putative 0.0341 0.9332 0.933
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.0102
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.025 0.0207
Brugia malayi Thioredoxin reductase 0.0057 0.1216 0.1302
Trypanosoma cruzi trypanothione reductase, putative 0.0057 0.1216 0.1082
Toxoplasma gondii hypothetical protein 0.0059 0.1265 0.1214
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.002 0.015 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0.025 0.0102
Onchocerca volvulus 0.0341 0.9332 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.1049 0.0913
Plasmodium falciparum thioredoxin reductase 0.0057 0.1216 0.116
Loa Loa (eye worm) hypothetical protein 0.0233 0.6233 0.6588
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.025 0.0102

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 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) 1.2589 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 4.1475 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 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 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) 32.6427 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) 35.4813 uM PubChem BioAssay. qHTS of GLP-1 Receptor Agonists. (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 Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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