Detailed information for compound 1309409

Basic information

Technical information
  • TDR Targets ID: 1309409
  • Name: 1-(4-methoxyphenyl)-5,5-dioxo-3a,4,6,6a-tetra hydro-3H-thieno[3,4-d]imidazole-2-thione
  • MW: 298.381 | Formula: C12H14N2O3S2
  • H donors: 0 H acceptors: 2 LogP: 0.77 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N1C2CS(=O)(=O)CC2N=C1S
  • InChi: 1S/C12H14N2O3S2/c1-17-9-4-2-8(3-5-9)14-11-7-19(15,16)6-10(11)13-12(14)18/h2-5,10-11H,6-7H2,1H3,(H,13,18)
  • InChiKey: VIVAZFLKTWZSFP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,5-diketo-1-(4-methoxyphenyl)-3a,4,6,6a-tetrahydro-3H-thieno[3,4-d]imidazole-2-thione
  • MLS000779829
  • SMR000420023
  • BB_SC-3536

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references
Equus caballus Ferritin light chain 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
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 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-31 0.003 0.0255 0.0215
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0229 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.003 0.0255 0.0215
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0042 0.0023
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.008 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-40 0.003 0.0255 0.0215
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.003 0.0255 0.0322
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0766 0.0749
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2073 0.204
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0109 0.0102
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0232 0.4039 0.6017
Schistosoma mansoni ap endonuclease 0.0023 0.0109 0.0068
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0109 0.5
Onchocerca volvulus 0.003 0.0255 0.0241
Loa Loa (eye worm) glutaminase 0.0548 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0121 0.0295
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.1948 0.1934
Brugia malayi PHD-finger family protein 0.0029 0.0229 0.0188
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0766 0.0727
Mycobacterium ulcerans glutaminase 0.0548 1 1
Echinococcus multilocularis FTZ F1 alpha 0.003 0.0255 0.0322
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1454 0.1419
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Plasmodium vivax importin-beta 2, putative 0.0029 0.0223 0.9716
Schistosoma mansoni steroid hormone receptor ad4bp 0.003 0.0255 0.0215
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0047 0.0006
Brugia malayi Nuclear hormone receptor family member nhr-49 0.003 0.0255 0.0215
Onchocerca volvulus Protein ultraspiracle homolog 0.003 0.0255 0.0241
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0766 0.0727
Brugia malayi Nuclear hormone receptor family member nhr-3 0.003 0.0255 0.0215
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0229 0.0188
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1454 0.1419
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0255 0.0215
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0255 0.0215
Loa Loa (eye worm) TAR-binding protein 0.0127 0.2073 0.2058
Loa Loa (eye worm) RNA binding protein 0.0127 0.2073 0.2058
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0042 0.0023
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0109 0.0102
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.1454 0.2126
Brugia malayi RNA binding protein 0.0127 0.2073 0.204
Plasmodium falciparum importin beta, putative 0.0029 0.0223 0.9716
Schistosoma mansoni ran 0.0021 0.008 0.0039
Brugia malayi mbt repeat family protein 0.0058 0.0766 0.0727
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0255 0.0215
Loa Loa (eye worm) hypothetical protein 0.0024 0.0132 0.0114
Schistosoma mansoni glutaminase 0.0548 1 1
Giardia lamblia Kinase, PLK 0.0094 0.1454 0.2656
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0121 0.0079
Schistosoma mansoni jumonji domain containing protein 0.0076 0.1105 0.1068
Brugia malayi Nuclear hormone receptor family member nhr-25 0.003 0.0255 0.0215
Loa Loa (eye worm) hypothetical protein 0.0019 0.0042 0.0023
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0132 0.0378
Echinococcus multilocularis Transglutaminase 0.0296 0.5254 0.7845
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0132 0.064
Loa Loa (eye worm) hypothetical protein 0.0019 0.0042 0.0023
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0223 0.1039
Echinococcus multilocularis thyroid hormone receptor alpha 0.003 0.0255 0.0322
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0047 0.0006
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0132 0.0091
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0255 0.0322
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0277 0.0355
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0018 0.0035
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0277 0.0237
Loa Loa (eye worm) steroid hormone receptor 0.003 0.0255 0.0237
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0277 0.026
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0255 0.0322
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0344 0.0304
Echinococcus multilocularis geminin 0.034 0.6078 0.9086
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0121 0.0079
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0109 0.0068
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.003 0.0255 0.0322
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0229 0.0282
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.003 0.0255 0.0215
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0058 0.0766 0.1237
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.003 0.0255 0.0237
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0121 0.0079
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0109 0.0208
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.003 0.0255 0.0237
Brugia malayi nuclear receptor NHR-88 0.003 0.0255 0.0215
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.003 0.0255 0.0237
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0109 0.0068
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0132 0.0091
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0109 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.003 0.0255 0.0215
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.2073 0.204
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1454 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0223 0.0205
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Echinococcus granulosus GPCR family 2 0.0032 0.0277 0.0355
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2073 0.204
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.003 0.0255 0.0322
Schistosoma mansoni hypothetical protein 0.0032 0.0277 0.0237
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0047 0.0009
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.008 0.2937
Onchocerca volvulus 0.0296 0.5254 1
Schistosoma mansoni hypothetical protein 0.0032 0.0277 0.0237
Giardia lamblia Hypothetical protein 0.0296 0.5254 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.1454 0.2126
Loa Loa (eye worm) hypothetical protein 0.0032 0.0277 0.026
Schistosoma mansoni retinoid-x-receptor (RXR) 0.003 0.0255 0.0215
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0344 0.0326
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1564 0.1528
Brugia malayi Importin beta-1 subunit 0.0029 0.0223 0.0182
Trypanosoma brucei polo-like protein kinase 0.0094 0.1454 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0132 0.0091
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.003 0.0255 0.0237
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0916 0.1316
Schistosoma mansoni hypothetical protein 0.0032 0.0277 0.0237
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.003 0.0255 0.0237
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0766 0.109
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0916 0.0878
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0047 0.0029
Schistosoma mansoni hypothetical protein 0.0068 0.0968 0.093
Schistosoma mansoni thyroid hormone receptor 0.003 0.0255 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-19 0.003 0.0255 0.0215
Trypanosoma cruzi polo-like protein kinase, putative 0.0094 0.1454 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.2073 0.2058
Echinococcus granulosus peregrin 0.0029 0.0229 0.0282
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0132 0.0114
Schistosoma mansoni hypothetical protein 0.0307 0.5457 0.5438
Loa Loa (eye worm) hypothetical protein 0.0024 0.0132 0.0114
Brugia malayi Thioredoxin family protein 0.0296 0.5254 0.5234
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0109 0.0212
Entamoeba histolytica hypothetical protein 0.0023 0.0121 0.0559
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0277 0.0237
Toxoplasma gondii exonuclease III APE 0.0023 0.0109 0.1957
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0047 0.0029
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1564 0.1548
Echinococcus granulosus tar DNA binding protein 0.0127 0.2073 0.3058
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0968 0.093
Echinococcus granulosus retinoic acid receptor rxr beta a 0.003 0.0255 0.0322
Mycobacterium tuberculosis Hypothetical protein 0.0296 0.5254 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0042 0.0023
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0132 0.0114
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.1474 0.2155
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2073 0.204
Schistosoma mansoni Tr4/Tr2 (homologue) 0.003 0.0255 0.0215
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.003 0.0255 0.0215
Echinococcus granulosus FTZ F1 alpha 0.003 0.0255 0.0322
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0766 0.109
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0277 0.0355
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0047 0.0009
Schistosoma mansoni ap endonuclease 0.0023 0.0109 0.0068
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0132 0.0252
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0766 0.0727
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0042 0.0023
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0132 0.0378
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0132 0.0252
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Brugia malayi steroid hormone receptor 0.003 0.0255 0.0215
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0916 0.1316
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.003 0.0255 0.0322
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.1454 0.1419
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.5457 0.5449
Echinococcus granulosus Transglutaminase 0.0296 0.5254 0.7845
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1564 0.1528
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0132 0.0114
Mycobacterium ulcerans hypothetical protein 0.0296 0.5254 0.5245
Loa Loa (eye worm) hypothetical protein 0.0024 0.0132 0.0114
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0229 1
Trichomonas vaginalis ran, putative 0.0021 0.008 0.0039
Schistosoma mansoni hypothetical protein 0.0296 0.5254 0.5234
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0223 0.0273
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Loa Loa (eye worm) glutaminase 2 0.0548 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0047 0.0006
Brugia malayi TAR-binding protein 0.0127 0.2073 0.204
Loa Loa (eye worm) hypothetical protein 0.0019 0.0042 0.0023
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0132 0.0378
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1454 0.1419
Schistosoma mansoni hypothetical protein 0.0355 0.6356 0.6341
Leishmania major importin beta-1 subunit, putative 0.0023 0.0121 0.0295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.003 0.0255 0.0237
Echinococcus granulosus jumonji domain containing protein 0.004 0.0443 0.0604
Echinococcus granulosus ecdysone induced protein 78C 0.003 0.0255 0.0322
Schistosoma mansoni hypothetical protein 0.0032 0.0277 0.0237
Echinococcus granulosus snurportin 1 0.0307 0.5457 0.8152
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0916 0.0878
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0109 0.0212
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0766 0.109
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.003 0.0255 0.0322
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0109 0.0479
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.008 0.2937
Brugia malayi ecdysteroid receptor 0.003 0.0255 0.0215
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0559 0.052
Loa Loa (eye worm) MBCTL1 0.0066 0.0916 0.0899
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0916 0.1316
Trichomonas vaginalis glutaminase, putative 0.0548 1 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.1454 0.1439
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.1454 1
Mycobacterium tuberculosis Long conserved protein 0.0296 0.5254 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0109 0.0212
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0109 0.0091
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0344 0.0455
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.003 0.0255 0.0215
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.008 0.0062
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2073 0.204
Mycobacterium tuberculosis Conserved hypothetical protein 0.0296 0.5254 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0132 0.064
Loa Loa (eye worm) hypothetical protein 0.0066 0.0916 0.0899
Echinococcus granulosus expressed protein 0.0372 0.6685 1
Brugia malayi Nuclear hormone receptor-like 1 0.003 0.0255 0.0215
Schistosoma mansoni RAR-like nuclear receptor 0.003 0.0255 0.0215
Mycobacterium ulcerans hypothetical protein 0.0024 0.0132 0.0114
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0109 0.4319
Schistosoma mansoni thyroid hormone receptor 0.003 0.0255 0.0215
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1454 0.1419
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0344 0.0304
Brugia malayi MH2 domain containing protein 0.012 0.1948 0.1915
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.003 0.0255 0.0322
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1454 0.1419
Echinococcus multilocularis tar DNA binding protein 0.0127 0.2073 0.3058
Echinococcus multilocularis peregrin 0.0029 0.0229 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-14 0.003 0.0255 0.0215
Mycobacterium ulcerans hypothetical protein 0.0296 0.5254 0.5245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.003 0.0255 0.0237
Schistosoma mansoni coup transcription factor 0.003 0.0255 0.0215
Loa Loa (eye worm) hypothetical protein 0.0058 0.0766 0.0749
Mycobacterium tuberculosis Conserved protein 0.0296 0.5254 1
Echinococcus granulosus geminin 0.034 0.6078 0.9086
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0132 0.0114
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0018 0.5
Onchocerca volvulus Bile acid receptor homolog 0.003 0.0255 0.0241
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0223 0.1039
Brugia malayi RNA, U transporter 1 0.0082 0.122 0.1184
Entamoeba histolytica Ran family GTPase 0.0021 0.008 0.0273
Echinococcus multilocularis ecdysone induced protein 78C 0.003 0.0255 0.0322
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0109 0.0056
Onchocerca volvulus 0.0058 0.0766 0.1237
Mycobacterium leprae Conserved hypothetical protein 0.0296 0.5254 1
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.1948 0.1934
Brugia malayi jmjC domain containing protein 0.0095 0.1474 0.1438
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.1454 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.003 0.0255 0.0215
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0916 0.1316
Schistosoma mansoni ran 0.0021 0.008 0.0039
Schistosoma mansoni hypothetical protein 0.034 0.6078 0.6061
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0132 0.0114
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0109 0.0068
Echinococcus multilocularis expressed protein 0.0372 0.6685 1
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0223 0.9597
Echinococcus multilocularis snurportin 1 0.0307 0.5457 0.8152
Loa Loa (eye worm) hypothetical protein 0.01 0.1564 0.1548
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0344 0.0455
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0277 0.0355
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0109 0.0091
Mycobacterium ulcerans putative transglutaminase-like protein 0.0296 0.5254 0.5245
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0277 0.0355
Brugia malayi nuclear hormone receptor 0.003 0.0255 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0127 0.2073 0.204
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1454 0.1419
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.003 0.0255 0.0322
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.008 0.0058
Mycobacterium ulcerans transglutaminase family protein 0.0296 0.5254 0.5245
Loa Loa (eye worm) hypothetical protein 0.0068 0.0968 0.0952
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0132 0.0114
Echinococcus granulosus importin subunit beta 1 0.0029 0.0223 0.0273
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0132 0.0114
Echinococcus granulosus nuclear receptor 2DBD gamma 0.003 0.0255 0.0322
Brugia malayi photoreceptor-specific nuclear receptor 0.003 0.0255 0.0215
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.1474 0.2155
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.003 0.0255 0.0322
Giardia lamblia PHD finger protein 15 0.0029 0.0229 0.0288
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0232 0.4039 0.6017
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0229 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Loa Loa (eye worm) hypothetical protein 0.0029 0.0229 0.0211
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.1454 0.1419
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.003 0.0255 0.0241
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0109 0.4319
Mycobacterium tuberculosis Conserved hypothetical protein 0.0296 0.5254 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0047 0.0006
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0766 0.109
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.1454 0.2582
Mycobacterium leprae Conserved hypothetical protein 0.0296 0.5254 1
Schistosoma mansoni kinase 0.0048 0.0583 0.0543
Giardia lamblia Transglutaminase/protease, putative 0.0296 0.5254 1
Brugia malayi Bromodomain containing protein 0.0029 0.0229 0.0188
Loa Loa (eye worm) hypothetical protein 0.0019 0.0042 0.0023
Schistosoma mansoni hypothetical protein 0.0029 0.0229 0.0188
Schistosoma mansoni importin beta-1 0.0029 0.0223 0.0182
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.1454 0.1419
Plasmodium falciparum phd finger protein, putative 0.0029 0.0229 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0132 0.064
Loa Loa (eye worm) hypothetical protein 0.003 0.0255 0.0237
Trichomonas vaginalis peptide N-glycanase, putative 0.0296 0.5254 0.5234
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0109 0.0212
Brugia malayi mbt repeat family protein 0.0058 0.0766 0.0727
Onchocerca volvulus Alhambra homolog 0.0029 0.0229 0.0189
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.003 0.0255 0.0322
Loa Loa (eye worm) hypothetical protein 0.0019 0.0042 0.0023
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0443 0.0604
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0229 0.0211
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.008 0.0058
Loa Loa (eye worm) hypothetical protein 0.005 0.062 0.0603
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0559 0.052
Brugia malayi Steroid receptor seven-up type 2 0.003 0.0255 0.0215
Echinococcus multilocularis GPCR, family 2 0.0032 0.0277 0.0355
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0811 0.0795
Brugia malayi jmjC domain containing protein 0.0035 0.0344 0.0304
Schistosoma mansoni hypothetical protein 0.034 0.6078 0.6061
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.003 0.0255 0.0215
Brugia malayi Nuclear hormone receptor family member nhr-41 0.003 0.0255 0.0215
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0229 0.0282
Schistosoma mansoni nuclear hormone receptor 0.003 0.0255 0.0215

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (binding) = 0.7943 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 4.1475 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) 5.8048 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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