Detailed information for compound 1341832

Basic information

Technical information
  • TDR Targets ID: 1341832
  • Name: 6-penta-1,3-diynylpyran-2-one
  • MW: 158.153 | Formula: C10H6O2
  • H donors: 0 H acceptors: 1 LogP: 1.94 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC#CC#Cc1cccc(=O)o1
  • InChi: 1S/C10H6O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,7-8H,1H3
  • InChiKey: UWYAPVRBARIIOV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-penta-1,3-diynyl-2-pyranone
  • 20851-32-5
  • MLS000737691
  • SMR000528504
  • NSC109292
  • NSC101772

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens caspase 6, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], 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 falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi glutathione 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
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Cryptosporidium parvum DinB/family X-type DNA polymerase 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 yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum thioredoxin reductase 1 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
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, 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
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense trypanothione reductase, putative 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
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
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
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei trypanothione 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
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum Glutathione reductase, related 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
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Toxoplasma gondii ImpB/MucB/SamB family 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax thioredoxin 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
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis trypanothione reductase 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Brugia malayi Cell death protein 3 precursor caspase 6, apoptosis-related cysteine peptidase 293 aa 270 aa 34.4 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0007 0.0007
Trypanosoma cruzi metacaspase, putative 0.0032 0.004 0.47
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Trypanosoma brucei unspecified product 0.0023 0.0022 0.2594
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0052 0.7682
Echinococcus multilocularis muscleblind protein 1 0.018 0.0344 0.0344
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0022 0.0022
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0007 0.3064
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0007 1
Loa Loa (eye worm) camk/mapkapk/mapkapk protein kinase 0.4894 1 1
Plasmodium falciparum glutathione reductase 0.0046 0.0068 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0007 0.0996
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0022 0.3486
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.004 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0052 0.6131
Trypanosoma brucei metacaspase MCA2 0.0032 0.004 0.47
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Echinococcus multilocularis geminin 0.0205 0.0394 0.0394
Trypanosoma brucei trypanothione reductase 0.0046 0.0068 0.7981
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0007 0.0795
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0005
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.0068 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.0188 0.8874
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Trypanosoma cruzi metacaspase, putative 0.0032 0.004 0.47
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0007 0.0996
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Echinococcus granulosus caspase 0.0032 0.004 0.004
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Entamoeba histolytica hypothetical protein 0.0043 0.0063 1
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.004 0.004
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0007 0.3064
Plasmodium falciparum glutathione reductase 0.0016 0.0007 0.0996
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.004
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0085 0.0085
Echinococcus granulosus dna polymerase kappa 0.0023 0.0022 0.0022
Echinococcus granulosus Carboxy terminal domain RNA polymerase II 0.0015 0.0005 0.0005
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0022 0.0022
Echinococcus multilocularis caspase 0.0032 0.004 0.004
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0032 0.004 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0015 0.0005 0.0741
Trypanosoma cruzi metacaspase, putative 0.0032 0.004 0.47
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0015 0.0005 0.0005
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0022 0.1043
Trypanosoma cruzi hypothetical protein, conserved 0.0015 0.0005 0.0591
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein 0.0015 0.0005 0.0794
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0007 0.0007
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.0212 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.004 0.5889
Echinococcus granulosus CTD small phosphatase protein like 0.0015 0.0005 0.0005
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.004 0.004
Trichomonas vaginalis dullard protein, putative 0.0015 0.0005 0.1258
Echinococcus granulosus dna polymerase eta 0.0054 0.0085 0.0085
Schistosoma mansoni DNA polymerase eta 0.0054 0.0085 0.0085
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.0188 0.8874
Trichomonas vaginalis dullard protein, putative 0.0015 0.0005 0.1258
Giardia lamblia Nuclear LIM interactor-interacting factor 1 0.0015 0.0005 0.2279
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0007 0.1691
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Loa Loa (eye worm) hypothetical protein 0.018 0.0344 0.0344
Echinococcus granulosus geminin 0.0205 0.0394 0.0394
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0007 0.0795
Plasmodium vivax metacaspase 1, putative 0.0032 0.004 0.5889
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0015 0.0005 0.1258
Schistosoma mansoni hypothetical protein 0.0205 0.0394 0.0394
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.004 1
Toxoplasma gondii NADPH-glutathione reductase 0.0016 0.0007 0.0996
Plasmodium vivax hypothetical protein, conserved 0.0032 0.004 0.5889
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Schistosoma mansoni serine/threonine-protein kinase 0.0013 0.0001 0.0001
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Schistosoma mansoni hypothetical protein 0.0205 0.0394 0.0394
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.0212 1
Echinococcus multilocularis caspase 2 0.0032 0.004 0.004
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0016 0.0007 0.032
Plasmodium falciparum metacaspase-like protein 0.0032 0.004 0.5889
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0015 0.0005 0.1258
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.004 0.5889
Plasmodium vivax NLI interacting factor-like phosphatase, putative 0.0015 0.0005 0.0741
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.004 0.004
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0007 0.0853
Plasmodium falciparum thioredoxin reductase 0.0016 0.0007 0.0996
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Trypanosoma brucei unspecified product 0.0016 0.0007 0.0853
Mycobacterium tuberculosis Probable reductase 0.0104 0.0188 0.8874
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Plasmodium falciparum thioredoxin reductase 0.0046 0.0068 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0022 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0016 0.0007 0.0996
Echinococcus granulosus muscleblind protein 0.018 0.0344 0.0344
Leishmania major trypanothione reductase 0.0046 0.0068 0.7981
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 0.0015 0.0005 0.0591
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0085 1
Leishmania major DNA polymerase eta, putative 0.0054 0.0085 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0007 0.0795
Loa Loa (eye worm) hypothetical protein 0.0054 0.0085 0.0085
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0022 0.2594
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0022 0.2594
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0063 0.0063
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0007 0.0795
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0063 0.0063
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0032 0.004 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0007 0.0853
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.0188 0.8874
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Echinococcus granulosus MAP kinase activated protein kinase 2 0.4894 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Onchocerca volvulus Cell death protein 3 homolog 0.0032 0.004 1
Brugia malayi hypothetical protein 0.0043 0.0063 0.0063
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0016 0.0007 0.0996
Leishmania major DNA polymerase eta, putative 0.0038 0.0052 0.6131
Loa Loa (eye worm) glutathione reductase 0.0046 0.0068 0.0068
Entamoeba histolytica hypothetical protein 0.0043 0.0063 1
Schistosoma mansoni hypothetical protein 0.0015 0.0005 0.0005
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.0069 0.0069
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Brugia malayi Muscleblind-like protein 0.018 0.0344 0.0344
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0022 0.552
Schistosoma mansoni caspase-3 (C14 family) 0.0032 0.004 0.004
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 0.0015 0.0005 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0016 0.0007 0.0996
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Loa Loa (eye worm) hypothetical protein 0.0032 0.004 0.004
Trichomonas vaginalis dullard protein, putative 0.0015 0.0005 0.1258
Echinococcus multilocularis MAP kinase activated protein kinase 2 0.4894 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0007 0.0853
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.004 0.47
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0022 0.552
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.0069 0.0069
Trypanosoma cruzi metacaspase, putative 0.0032 0.004 0.47
Trypanosoma brucei metacaspase 5, putative 0.0032 0.004 0.47
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.0212 1
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0015 0.0005 0.1258
Plasmodium vivax glutathione reductase, putative 0.0046 0.0068 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0007 0.1691
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0007 0.0795
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0022 0.0022
Trypanosoma brucei metacaspase 0.0032 0.004 0.47
Echinococcus multilocularis caspase 8 0.0032 0.004 0.004
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.0068 0.3209
Loa Loa (eye worm) hypothetical protein 0.0015 0.0005 0.0005
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.0068 0.0068
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.004 0.47
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II 0.0015 0.0005 0.0005
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.004 0.004
Echinococcus multilocularis 0.0015 0.0005 0.0005
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.004 0.5889
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0085 1
Echinococcus multilocularis muscleblind protein 0.018 0.0344 0.0344
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0022 0.0022
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0007 0.0795
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0007 0.0795
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.0188 0.8874
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative 0.0015 0.0005 0.1258
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0007 0.0795
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.004 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0022 0.1043
Brugia malayi Cell death protein 3 precursor 0.0032 0.004 0.004
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Treponema pallidum NADH oxidase 0.0016 0.0007 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0063 1
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0022 0.2594
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.0212 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.004 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.0068 1
Plasmodium falciparum NLI interacting factor-like phosphatase, putative 0.0015 0.0005 0.0741
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0007 0.3064
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.004 1
Echinococcus granulosus caspase 8 0.0032 0.004 0.004
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0007 0.0795
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0022 0.0022
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1682 0.1682
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0007 0.0795
Brugia malayi glutathione reductase 0.0046 0.0068 0.0068
Trypanosoma brucei metacaspase MCA3 0.0032 0.004 0.47
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.0188 0.8874
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.0188 0.8874
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0007 0.0007
Brugia malayi Thioredoxin reductase 0.0046 0.0068 0.0068
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0022 0.2594
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0007 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Trypanosoma brucei Metacaspase-4 0.0032 0.004 0.47
Entamoeba histolytica hypothetical protein 0.0043 0.0063 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0022 0.0022
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1682 0.1682
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0022 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0007 0.0007
Leishmania major DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Trypanosoma brucei unspecified product 0.0016 0.0007 0.0853
Loa Loa (eye worm) hypothetical protein 0.018 0.0344 0.0344
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0022 0.0022
Schistosoma mansoni serine/threonine protein kinase 0.4894 1 1
Giardia lamblia DINP protein human, muc B family 0.0023 0.0022 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0063 0.0063
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1682 0.1682
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.004 1
Plasmodium falciparum metacaspase 1 0.0032 0.004 0.5889
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0007 0.5
Toxoplasma gondii Dullard family phosphatase domain-containing protein 0.0015 0.0005 0.0741
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0007 0.3064
Leishmania major metacaspase, putative 0.0032 0.004 0.47
Echinococcus multilocularis dna polymerase eta 0.0054 0.0085 0.0085
Echinococcus granulosus caspase 2 0.0032 0.004 0.004
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) 0.0015 0.0005 0.0005
Schistosoma mansoni hypothetical protein 0.0043 0.0063 0.0063
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.0068 0.7981
Leishmania major hypothetical protein, conserved 0.0015 0.0005 0.0591
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.004 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0022 0.2594
Entamoeba histolytica protein kinase, putative 0.0013 0.000000015204 0.0000024004

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 9.68 uM PubChem BioAssay. VEID(2) R110 Enzymatic Primary HTS to identify Inhibitors of Caspase 6 Measured in Biochemical System Using Plate Reader - 7052-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
EC50 (functional) > 91.005 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of the function of SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2 (SMARCA2, BRM). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 16.549 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
IC50 (functional) 44.4 uM PubChem BioAssay. Identify HuR specific inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 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 (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 19.9526 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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) 79.4328 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 Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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