Detailed information for compound 791669

Basic information

Technical information
  • TDR Targets ID: 791669
  • Name: 2-[3-(4-ethoxyphenyl)-2,4-dioxothieno[2,3-e]p yrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
  • MW: 451.495 | Formula: C23H21N3O5S
  • H donors: 1 H acceptors: 3 LogP: 3.59 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1)n1c(=O)n(CC(=O)Nc2cccc(c2)OC)c2c(c1=O)scc2
  • InChi: 1S/C23H21N3O5S/c1-3-31-17-9-7-16(8-10-17)26-22(28)21-19(11-12-32-21)25(23(26)29)14-20(27)24-15-5-4-6-18(13-15)30-2/h4-13H,3,14H2,1-2H3,(H,24,27)
  • InChiKey: DJQSAAAIJFNBOT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[3-(4-ethoxyphenyl)-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
  • 2-[3-(4-ethoxyphenyl)-2,4-dioxo-1-thieno[2,3-e]pyrimidinyl]-N-(3-methoxyphenyl)acetamide
  • 2-[3-(4-ethoxyphenyl)-2,4-diketo-thieno[2,3-e]pyrimidin-1-yl]-N-(3-methoxyphenyl)acetamide
  • 2-[3-(4-ethoxyphenyl)-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]-N-(3-methoxyphenyl)ethanamide
  • 2-[3-(4-ethoxyphenyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-(3-methoxyphenyl)acetamide
  • MLS000730322
  • SMR000308598

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei 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
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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 DNA-(apurinic or apyrimidinic site) lyase 2, 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
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Entamoeba histolytica exodeoxyribonuclease III, 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.031 0.1878
Echinococcus granulosus zinc finger protein 0.0022 0.0296 0.035
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0106 0.0084
Onchocerca volvulus 0.0311 0.5268 1
Schistosoma mansoni hypothetical protein 0.0011 0.0106 0.0129
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0748 0.4577
Loa Loa (eye worm) hypothetical protein 0.0011 0.0106 0.0201
Loa Loa (eye worm) hypothetical protein 0.0312 0.5279 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1592 1
Mycobacterium tuberculosis UDP-galactopyranose mutase Glf (UDP-GALP mutase) (NAD+-flavin adenine dinucleotide-requiring enzyme) 0.0587 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1072 0.2031
Trypanosoma brucei ISWI complex protein 0.0016 0.0191 0.0443
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0222 0.0247
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1072 0.1481
Echinococcus granulosus Smad4 0.0008 0.0064 0.0025
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.031 0.1766
Loa Loa (eye worm) hypothetical protein 0.0072 0.1151 0.218
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0575 0.3465
Echinococcus multilocularis lamin 0.0033 0.048 0.0609
Brugia malayi hypothetical protein 0.0037 0.0557 0.1055
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0038 0.0575 0.2063
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1592 1
Brugia malayi Smad1 0.0008 0.0064 0.0122
Brugia malayi Fli-1 protein 0.0227 0.3811 0.7218
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.048 0.0908
Brugia malayi MH2 domain containing protein 0.0008 0.0064 0.0122
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0222 0.0291
Brugia malayi Ets-domain containing protein 0.0075 0.1202 0.2276
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0075 0.1202 0.2276
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0038 0.0575 0.0785
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0038 0.0575 0.1089
Echinococcus multilocularis geminin 0.0175 0.2919 0.4039
Loa Loa (eye worm) hypothetical protein 0.0073 0.1172 0.222
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.1592 1
Schistosoma mansoni hypothetical protein 0.0421 0.7158 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0341
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0106 0.0201
Schistosoma mansoni bromodomain containing protein 0.0006 0.0025 0.0015
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1592 1
Echinococcus granulosus kelch ECH associated protein 1 0.0097 0.1592 0.2173
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0106 0.0084
Schistosoma mansoni tsg101-related 0.0049 0.0757 0.104
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0106 0.0084
Trypanosoma cruzi ISWI complex protein 0.0016 0.0191 0.0443
Loa Loa (eye worm) hypothetical protein 0.0042 0.0641 0.1215
Brugia malayi hypothetical protein 0.0072 0.1151 0.218
Loa Loa (eye worm) hypothetical protein 0.0015 0.018 0.0341
Loa Loa (eye worm) hypothetical protein 0.004 0.0599 0.1135
Echinococcus granulosus kelch ECH associated protein 1 like 0.0097 0.1592 0.2173
Echinococcus multilocularis muscleblind protein 0.0312 0.5279 0.7358
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1592 1
Echinococcus multilocularis protein C ets 2 0.0011 0.0106 0.0084
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1072 0.1481
Entamoeba histolytica hypothetical protein 0.0037 0.0557 0.3441
Entamoeba histolytica tumor susceptibility gene 101 protein, putative 0.0049 0.0757 0.4711
Loa Loa (eye worm) hypothetical protein 0.0032 0.0469 0.0889
Echinococcus multilocularis ubiquitin specific protease 41 0.0038 0.0575 0.0743
Schistosoma mansoni kinase 0.0049 0.077 0.1058
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0106 0.0084
Schistosoma mansoni cpg binding protein 0.0033 0.0491 0.0668
Loa Loa (eye worm) intermediate filament protein 0.0033 0.048 0.0908
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.0064 0.0025
Echinococcus granulosus protein C ets 2 0.0011 0.0106 0.0084
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.019 0.0202
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0575 0.0743
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.0064 0.0025
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0038 0.0575 0.3553
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.2033 0.3851
Echinococcus multilocularis musashi 0.0033 0.048 0.0609
Loa Loa (eye worm) Smad1 0.0008 0.0064 0.0122
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.1592 0.2173
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0109 0.0207
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1592 1
Echinococcus multilocularis ets variant gene 4 0.0011 0.0106 0.0084
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.031 0.5
Mycobacterium ulcerans UDP-galactopyranose mutase Glf 0.0587 1 1
Schistosoma mansoni bromodomain containing protein 0.0067 0.1069 0.1477
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0222 0.0291
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0557 0.0718
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0233 0.0262
Onchocerca volvulus 0.0033 0.048 0.0105
Echinococcus multilocularis Kelch repeat type 1 0.0098 0.1596 0.2179
Loa Loa (eye worm) hypothetical protein 0.0033 0.048 0.0908
Loa Loa (eye worm) hypothetical protein 0.0312 0.5279 1
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.1592 0.2208
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0106 0.0084
Schistosoma mansoni tsg101-related 0.006 0.0945 0.1303
Echinococcus multilocularis smad 0.0008 0.0064 0.0025
Brugia malayi MH1 domain containing protein 0.0008 0.0064 0.0122
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.022 0.0417
Schistosoma mansoni ets-related 0.0011 0.0106 0.0129
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.022 0.0417
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0038 0.0575 0.2739
Echinococcus granulosus intermediate filament protein 0.0033 0.048 0.0609
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0106 0.0084
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0106 0.0201
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0106 0.0201
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0044
Loa Loa (eye worm) hypothetical protein 0.0046 0.0704 0.1334
Schistosoma mansoni cpg binding protein 0.003 0.0429 0.058
Schistosoma mansoni hypothetical protein 0.0175 0.2919 0.4066
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.031 0.0371
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0072 0.1151 0.1553
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0222 0.0247
Echinococcus multilocularis Smad4 0.0008 0.0064 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0126 0.0583
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1072 0.1442
Brugia malayi intermediate filament protein 0.0033 0.048 0.0908
Echinococcus multilocularis kelch ECH associated protein 1 0.0097 0.1592 0.2173
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0078 0.0044
Brugia malayi RNA binding protein 0.0067 0.1072 0.2031
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0038 0.0575 0.0785
Schistosoma mansoni zinc finger protein 0.0022 0.0296 0.0394
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0106 0.0201
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.031 0.1256
Brugia malayi Ets-domain containing protein 0.0011 0.0106 0.0201
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.031 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0575 0.306
Schistosoma mansoni hypothetical protein 0.0175 0.2919 0.4066
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.1592 0.2173
Echinococcus multilocularis lamin dm0 0.0033 0.048 0.0609
Schistosoma mansoni hypothetical protein 0.0021 0.0286 0.038
Schistosoma mansoni hypothetical protein 0.0037 0.0557 0.076
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0233 0.0307
Echinococcus granulosus kelch ECH associated protein 1 like 0.0097 0.1592 0.2173
Brugia malayi transcription factor E74 isoform 0.0011 0.0106 0.0201
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0106 0.0084
Loa Loa (eye worm) hypothetical protein 0.0018 0.0233 0.0442
Brugia malayi TAR-binding protein 0.0067 0.1072 0.2031
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.031 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.019 0.036
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.031 0.0588
Echinococcus granulosus ubiquitin specific protease 41 0.0038 0.0575 0.0743
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0748 0.4577
Schistosoma mansoni ets-related 0.0227 0.3811 0.5314
Echinococcus multilocularis muscleblind protein 1 0.0312 0.5279 0.7358
Schistosoma mansoni tsg101-related 0.006 0.0945 0.1303
Schistosoma mansoni smad1 5 8 and 0.0008 0.0064 0.007
Echinococcus granulosus lamin 0.0033 0.048 0.0609
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.1006 0.1349
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.031 0.0588
Entamoeba histolytica hypothetical protein 0.0037 0.0557 0.3441
Echinococcus granulosus smad 0.0008 0.0064 0.0025
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.1592 0.3015
Entamoeba histolytica hypothetical protein 0.0037 0.0557 0.3441
Schistosoma mansoni zinc finger protein 0.0016 0.0191 0.0248
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.1006 0.1349
Trypanosoma brucei polo-like protein kinase 0.0097 0.1592 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0998 0.1378
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0106 0.0084
Loa Loa (eye worm) hypothetical protein 0.0064 0.1016 0.1924
Mycobacterium tuberculosis Class a beta-lactamase BlaC 0.0137 0.2269 0.2021
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0557 0.0718
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1592 1
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0575 0.0743
Loa Loa (eye worm) RNA binding protein 0.0067 0.1072 0.2031
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0106 0.0084
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0556 0.0717
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1072 0.1481
Echinococcus granulosus tar DNA binding protein 0.0067 0.1072 0.1442
Brugia malayi hypothetical protein 0.0311 0.5268 0.9979
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.1592 1
Brugia malayi Bromodomain containing protein 0.0079 0.1276 0.2418
Loa Loa (eye worm) hypothetical protein 0.0006 0.0025 0.0047
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0557 0.076
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0575 0.3465
Schistosoma mansoni ap endonuclease 0.0023 0.031 0.0415
Brugia malayi MH1 domain containing protein 0.0008 0.0064 0.0122
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.019 0.0202
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0106 0.0084
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0233 0.0441
Schistosoma mansoni smad 0.0008 0.0064 0.007
Toxoplasma gondii exonuclease III APE 0.0023 0.031 0.3181
Mycobacterium ulcerans lipoprotein LpqF 0.0066 0.1048 0.0761
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0038 0.0575 0.3465
Brugia malayi MH2 domain containing protein 0.0008 0.0064 0.0122
Trichomonas vaginalis hypothetical protein 0.0035 0.052 0.3111
Schistosoma mansoni ets 0.0011 0.0106 0.0129
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0106 0.0129
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0233 0.0262
Leishmania major hypothetical protein, conserved 0.0023 0.0314 0.0877
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0286 0.0541
Echinococcus granulosus cpg binding protein 0.0033 0.0491 0.0625
Loa Loa (eye worm) hypothetical protein 0.0311 0.5268 0.9979
Trichomonas vaginalis conserved hypothetical protein 0.0012 0.0126 0.0583
Loa Loa (eye worm) hypothetical protein 0.0011 0.0106 0.0201
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0233 0.0307
Mycobacterium tuberculosis Probable conserved lipoprotein LpqF 0.0066 0.1048 0.0761
Echinococcus multilocularis dnaJ subfamily B 0.0421 0.7158 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.0064 0.0122
Entamoeba histolytica hypothetical protein 0.0037 0.0557 0.3441
Schistosoma mansoni smad1 5 8 and 0.0008 0.0064 0.007
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.031 0.1256
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.1592 0.2404
Schistosoma mansoni elf1 0.0011 0.0106 0.0129
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.031 0.0371
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.031 0.1766
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0348 0.0468
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.031 0.5
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.031 0.0851
Giardia lamblia Kinase, PLK 0.0097 0.1592 1
Brugia malayi Bromodomain containing protein 0.0039 0.0598 0.1133
Schistosoma mansoni hypothetical protein 0.0016 0.0191 0.0248
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0556 0.0717
Trypanosoma cruzi Vps23 core domain containing protein, putative 0.0023 0.0314 0.1281
Echinococcus granulosus GA binding protein alpha chain 0.0075 0.1202 0.1624
Schistosoma mansoni intermediate filament proteins 0.0033 0.048 0.0652
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0038 0.0575 0.0743
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0072 0.1151 0.1553
Trypanosoma brucei Vps23 core domain containing protein, putative 0.0023 0.0314 0.1281
Brugia malayi Ets-domain containing protein 0.0075 0.1202 0.2276
Loa Loa (eye worm) hypothetical protein 0.0038 0.0575 0.1089
Brugia malayi PHD-finger family protein 0.0027 0.039 0.0739
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1592 1
Brugia malayi Muscleblind-like protein 0.0312 0.5279 1
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0106 0.0084
Echinococcus granulosus dnaJ subfamily B 0.0421 0.7158 1
Schistosoma mansoni hypothetical protein 0.0011 0.0106 0.0129
Echinococcus granulosus lamin dm0 0.0033 0.048 0.0609
Echinococcus granulosus muscleblind protein 0.0312 0.5279 0.7358
Echinococcus multilocularis cpg binding protein 0.0033 0.0491 0.0625
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.1592 0.3015
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0348 0.0424
Echinococcus multilocularis zinc finger protein 0.0022 0.0296 0.035
Schistosoma mansoni Smad4 0.0008 0.0064 0.007
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1072 0.2031
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0575 0.306
Mycobacterium ulcerans class a beta-lactamase, BlaC 0.0137 0.2269 0.2021
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0038 0.0575 0.306
Entamoeba histolytica hypothetical protein 0.0012 0.0126 0.071
Entamoeba histolytica hypothetical protein 0.0012 0.0126 0.071
Schistosoma mansoni ap endonuclease 0.0023 0.031 0.0415
Schistosoma mansoni cpg binding protein 0.0033 0.0491 0.0668
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.2033 0.3851
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.0064 0.0025
Schistosoma mansoni gabp alpha 0.0075 0.1202 0.1662
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0038 0.0575 0.0743
Echinococcus granulosus geminin 0.0175 0.2919 0.4039
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1072 0.1481
Brugia malayi CXXC zinc finger family protein 0.003 0.0429 0.0812
Schistosoma mansoni lamin 0.0033 0.048 0.0652
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1072 0.1481
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0078 0.0147
Schistosoma mansoni hypothetical protein 0.0098 0.1596 0.2215
Brugia malayi MH2 domain containing protein 0.0123 0.2033 0.3851
Entamoeba histolytica hypothetical protein 0.0012 0.0126 0.071
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.0064 0.007
Loa Loa (eye worm) fli-1 protein 0.0227 0.3811 0.7218
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0348 0.0424
Trypanosoma brucei beta lactamase 0.0066 0.1048 0.6286
Onchocerca volvulus 0.0033 0.048 0.0105
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0925 1
Entamoeba histolytica hypothetical protein 0.0012 0.0126 0.071
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.031 0.1256
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0106 0.0084
Trypanosoma cruzi ISWI complex protein 0.0016 0.0191 0.0443
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1072 0.2031
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0047 0.0045
Schistosoma mansoni smad1 5 8 and 0.0008 0.0064 0.007
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.048 0.0908
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0106 0.0201
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1592 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.0064 0.0122
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1592 1
Schistosoma mansoni lamin 0.0033 0.048 0.0652
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0429 0.0812
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.0064 0.0025
Echinococcus multilocularis kelch ECH associated protein 1 0.0097 0.1592 0.2173
Echinococcus multilocularis GA binding protein alpha chain 0.0075 0.1202 0.1624

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1778 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (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

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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