Detailed information for compound 1376047

Basic information

Technical information
  • TDR Targets ID: 1376047
  • Name: N-[(4-diethylaminophenyl)methyl]-N-(1,1-dioxo thiolan-3-yl)thiophene-2-carboxamide
  • MW: 406.562 | Formula: C20H26N2O3S2
  • H donors: 0 H acceptors: 3 LogP: 3.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(c1ccc(cc1)CN(C(=O)c1cccs1)C1CCS(=O)(=O)C1)CC
  • InChi: 1S/C20H26N2O3S2/c1-3-21(4-2)17-9-7-16(8-10-17)14-22(18-11-13-27(24,25)15-18)20(23)19-6-5-12-26-19/h5-10,12,18H,3-4,11,13-15H2,1-2H3
  • InChiKey: GRKZUKLCXASQRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-diethylaminophenyl)methyl]-N-(1,1-dioxo-3-thiolanyl)-2-thiophenecarboxamide
  • N-(4-diethylaminobenzyl)-N-(1,1-diketothiolan-3-yl)thiophene-2-carboxamide

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 growth factor, augmenter of liver regeneration Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis ap endonuclease, putative 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum FAD-linked sulfhydryl oxidase ALR, putative Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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
Babesia bovis human hepatopoietin-like protein, putative Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Theileria parva 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
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Candida albicans hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Brugia malayi Augmenter of liver regeneration Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium berghei FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Toxoplasma gondii Erv1 / Alr family protein Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma japonicum ko:K10772 AP endonuclease 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
Theileria parva hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Treponema pallidum exodeoxyribonuclease (exoA) 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR Get druggable targets OG5_127535 All targets in OG5_127535
Neospora caninum hypothetical 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hepatopoietin HPO2 Get druggable targets OG5_127535 All targets in OG5_127535
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative Get druggable targets OG5_127535 All targets in OG5_127535
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 Get druggable targets OG5_127535 All targets in OG5_127535
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense ERV/ALR sulfhydryl oxidase domain-containing protein Get druggable targets OG5_127535 All targets in OG5_127535
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127535 All targets in OG5_127535
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
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
Echinococcus multilocularis serotonin receptor 0.0149 0.1906 0.1911
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Brugia malayi sulfakinin receptor protein 0.0028 0.0171 0.0769
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.009 0.5
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Loa Loa (eye worm) HMP-2 protein 0.0096 0.1143 0.58
Brugia malayi Tachykinin-like peptides receptor 99D 0.0028 0.0171 0.0769
Brugia malayi putative neuropeptide receptor NPR1 0.0028 0.0171 0.0769
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Schistosoma mansoni neuropeptide F-like receptor 0.0028 0.0171 0.0267
Echinococcus granulosus neuropeptide FF receptor 2 0.0028 0.0171 0.0082
Schistosoma mansoni amine GPCR 0.0028 0.0171 0.0267
Schistosoma mansoni neuropeptide receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Schistosoma mansoni biogenic amine receptor 0.0028 0.0171 0.0267
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0028 0.0171 0.0446
Echinococcus granulosus hypothetical protein 0.0297 0.4035 0.3981
Leishmania major hypothetical protein, conserved 0.0041 0.0359 1
Echinococcus multilocularis neuropeptides capa receptor 0.0028 0.0171 0.0085
Echinococcus multilocularis g-protein coupled receptor 0.0028 0.0171 0.0085
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0207 0.5753
Schistosoma mansoni opsin-like receptor 0.0028 0.0171 0.0267
Echinococcus multilocularis fmrfamide receptor 0.0028 0.0171 0.0085
Echinococcus granulosus pangolin 0.0064 0.0686 0.0601
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0028 0.0171 0.0085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Trypanosoma brucei unspecified product 0.0034 0.0255 0.7096
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0041 0.0349 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Schistosoma mansoni amine GPCR 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Onchocerca volvulus Cirhin homolog 0.0095 0.1134 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0349 0.9617
Echinococcus granulosus somatostatin receptor 0.0028 0.0171 0.0082
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0349 0.9713
Echinococcus granulosus g protein coupled receptor 0.0028 0.0171 0.0082
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Schistosoma mansoni hypothetical protein 0.0234 0.3122 1
Echinococcus granulosus FAD linked sulfhydryl oxidase ALR 0.0041 0.0359 0.0271
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0028 0.0171 0.0267
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0207 0.5753
Schistosoma mansoni biogenic amine receptor 0.0028 0.0171 0.0267
Echinococcus granulosus 7tm_1 domain containing protein 0.0028 0.0171 0.0082
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Brugia malayi putative neuropeptide receptor 0.0028 0.0171 0.0769
Brugia malayi Dopamine receptor 0.0028 0.0171 0.0769
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) melatonin receptor type 1A 0.0028 0.0171 0.0446
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Brugia malayi neuropeptide F receptor 0.0028 0.0171 0.0769
Echinococcus granulosus neuropeptide receptor A26 0.0028 0.0171 0.0082
Echinococcus granulosus alpha 1A adrenergic receptor 0.0028 0.0171 0.0082
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Brugia malayi G protein-coupled receptor 0.0028 0.0171 0.0769
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Echinococcus multilocularis beta catenin 0.0096 0.1143 0.1108
Echinococcus multilocularis dna polymerase kappa 0.0041 0.0349 0.0272
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Echinococcus granulosus dro:myosuppressin receptor 0.0028 0.0171 0.0082
Plasmodium falciparum FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0359 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus tm gpcr rhodopsin 0.0028 0.0171 0.0082
Echinococcus multilocularis G protein coupled receptor 139 0.0028 0.0171 0.0085
Schistosoma mansoni adenoreceptor 0.0028 0.0171 0.0267
Brugia malayi RE15519p 0.0028 0.0171 0.0769
Echinococcus granulosus neuropeptide receptor 0.0028 0.0171 0.0082
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0028 0.0171 0.0769
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) TYRA-2 protein 0.0028 0.0171 0.0446
Echinococcus granulosus tachykinin peptides receptor 99D 0.0028 0.0171 0.0082
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Schistosoma mansoni myosin xvIII 0.0028 0.0171 0.0267
Echinococcus multilocularis neuropeptide receptor A26 0.0028 0.0171 0.0085
Schistosoma mansoni hypothetical protein 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus multilocularis conserved hypothetical protein 0.0684 0.9593 1
Brugia malayi Dopamine receptor protein 1 0.0028 0.0171 0.0769
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0028 0.0171 0.0085
Echinococcus multilocularis FAD linked sulfhydryl oxidase ALR 0.0041 0.0359 0.0283
Brugia malayi follicle stimulating hormone receptor 0.0028 0.0171 0.0769
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Schistosoma mansoni hypothetical protein 0.0028 0.0171 0.0267
Schistosoma mansoni opsin-like receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Brugia malayi GnHR receptor homolog 0.0028 0.0171 0.0769
Loa Loa (eye worm) hypothetical protein 0.0149 0.1906 1
Trypanosoma cruzi ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0359 1
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0349 1
Echinococcus multilocularis neuropeptide receptor 0.0028 0.0171 0.0085
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.009 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0028 0.0171 0.0769
Echinococcus multilocularis sex peptide receptor 0.0028 0.0171 0.0085
Echinococcus multilocularis g protein coupled receptor 0.0028 0.0171 0.0085
Echinococcus granulosus g-protein coupled receptor 0.0028 0.0171 0.0082
Schistosoma mansoni alpha-1 adrenergic receptor 0.0028 0.0171 0.0267
Schistosoma mansoni hypothetical protein 0.0028 0.0171 0.0267
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0028 0.0171 0.0082
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) G-protein coupled receptor 0.0028 0.0171 0.0446
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0028 0.0171 0.0082
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0349 0.9617
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Brugia malayi ORL1-like opioid receptor 0.0028 0.0171 0.0769
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0171 0.0082
Schistosoma mansoni neuropeptide F-like receptor 0.0028 0.0171 0.0267
Echinococcus granulosus T cell transcription factor 4 long C terminal 0.0064 0.0686 0.0601
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Schistosoma mansoni growth hormone secretagogue receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus neuropeptide receptor 0.0028 0.0171 0.0082
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0028 0.0171 0.0769
Echinococcus granulosus tm gpcr rhodopsin 0.0028 0.0171 0.0082
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Echinococcus granulosus fmrfamide receptor 0.0028 0.0171 0.0082
Loa Loa (eye worm) neuropeptide F receptor 0.0028 0.0171 0.0446
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0028 0.0171 0.0082
Brugia malayi Serotonin receptor 0.0028 0.0171 0.0769
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Schistosoma mansoni hypothetical protein 0.0028 0.0171 0.0267
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0028 0.0171 0.0267
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.009 0.2511
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0359 1
Brugia malayi G-protein coupled receptor 0.0028 0.0171 0.0769
Echinococcus granulosus serotonin receptor 0.0028 0.0171 0.0082
Schistosoma mansoni biogenic amine receptor 0.0028 0.0171 0.0267
Echinococcus multilocularis neuropeptide receptor 0.0028 0.0171 0.0085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Echinococcus multilocularis neuropeptides capa receptor 0.0028 0.0171 0.0085
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0028 0.0171 0.0085
Echinococcus multilocularis T cell transcription factor 4 long C terminal 0.0064 0.0686 0.0627
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0028 0.0171 0.0446
Brugia malayi HMG box family protein 0.0064 0.0686 0.5657
Schistosoma mansoni biogenic amine (5HT) receptor 0.0149 0.1906 0.5989
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Schistosoma mansoni amine GPCR 0.0028 0.0171 0.0267
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0028 0.0171 0.0446
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0171 0.0082
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0028 0.0171 0.0267
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.009 0.0887
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 4 0.0041 0.0359 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Schistosoma mansoni amine GPCR 0.0028 0.0171 0.0267
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Trichomonas vaginalis DNA polymerase eta, putative 0.0041 0.0349 1
Echinococcus granulosus neuropeptides capa receptor 0.0028 0.0171 0.0082
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0028 0.0171 0.0085
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus tm gpcr rhodopsin 0.0028 0.0171 0.0082
Echinococcus multilocularis neuropeptide FF receptor 2 0.0028 0.0171 0.0085
Schistosoma mansoni amine GPCR 0.0028 0.0171 0.0267
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Echinococcus granulosus beta catenin 0.0096 0.1143 0.1063
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.0349 0.9713
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0028 0.0171 0.0085
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Echinococcus granulosus neuropeptide Y receptor 0.0028 0.0171 0.0082
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0349 0.9617
Echinococcus multilocularis orexin receptor type 2 0.0028 0.0171 0.0085
Loa Loa (eye worm) hepatopoietin HPO2 0.0041 0.0359 0.1481
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0171 0.0082
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0028 0.0171 0.0085
Echinococcus granulosus biogenic amine 5HT receptor 0.0028 0.0171 0.0082
Echinococcus multilocularis g protein coupled receptor 0.0028 0.0171 0.0085
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0171 0.0082
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Echinococcus granulosus orexin receptor type 2 0.0028 0.0171 0.0082
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0028 0.0171 0.0267
Echinococcus granulosus neuropeptide s receptor 0.0028 0.0171 0.0082
Brugia malayi AKH receptor 0.0028 0.0171 0.0769
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0171 0.0082
Echinococcus multilocularis allatostatin A receptor 0.0028 0.0171 0.0085
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0028 0.0171 0.0267
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.009 1
Echinococcus multilocularis fmrfamide receptor 0.0028 0.0171 0.0085
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0028 0.0171 0.0267
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.009 1
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0028 0.0171 0.0082
Echinococcus granulosus peptide allatostatin:somatostatin 0.0028 0.0171 0.0082
Echinococcus granulosus g protein coupled receptor 0.0028 0.0171 0.0082
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0096 0.1143 1
Loa Loa (eye worm) G-protein coupled receptor 0.0028 0.0171 0.0446
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0028 0.0171 0.0085
Echinococcus multilocularis rhodopsin orphan GPCR 0.0028 0.0171 0.0085
Schistosoma mansoni neuropeptide receptor 0.0028 0.0171 0.0267
Plasmodium vivax FAD-linked sulfhydryl oxidase ERV1, putative 0.0041 0.0359 1
Brugia malayi Serotonin receptor 0.0028 0.0171 0.0769
Echinococcus multilocularis g protein coupled receptor 0.0028 0.0171 0.0085
Echinococcus granulosus allatostatin A receptor 0.0028 0.0171 0.0082
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0028 0.0171 0.0267
Echinococcus multilocularis serotonin receptor 0.0149 0.1906 0.1911
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Schistosoma mansoni neuropeptide f receptor 76f 0.0028 0.0171 0.0267
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0028 0.0171 0.0085
Echinococcus multilocularis neuropeptide Y receptor 0.0028 0.0171 0.0085
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0359 1
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0028 0.0171 0.0267
Schistosoma mansoni neuropeptide receptor 0.0028 0.0171 0.0267
Schistosoma mansoni histamine h1 receptor 0.0028 0.0171 0.0267
Echinococcus multilocularis neuropeptide Y receptor 0.0028 0.0171 0.0085
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0028 0.0171 0.0085
Brugia malayi polk-prov protein 0.0031 0.0207 0.1106
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Trypanosoma brucei ERV/ALR sulfhydryl oxidase domain-containing protein 0.0041 0.0359 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Schistosoma mansoni biogenic amine (5HT) receptor 0.0028 0.0171 0.0267
Echinococcus multilocularis dro:myosuppressin receptor 0.0028 0.0171 0.0085
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0028 0.0171 0.0085
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0255 0.7096
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0028 0.0171 0.0085
Schistosoma mansoni beta-catenin 0.0096 0.1143 0.3474
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0028 0.0171 0.0085
Echinococcus granulosus biogenic amine 5HT receptor 0.0149 0.1906 0.1832
Brugia malayi Dopamine receptor protein 2 0.0028 0.0171 0.0769
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0064 0.1782
Loa Loa (eye worm) hypothetical protein 0.0149 0.1906 1
Brugia malayi neuropeptide F receptor 0.0028 0.0171 0.0769
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0171 0.0082
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Echinococcus multilocularis somatostatin receptor 0.0028 0.0171 0.0085
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.009 0.5
Schistosoma mansoni pangolin 0.0064 0.0686 0.1965
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0031 0.0207 0.0641
Echinococcus granulosus g protein coupled receptor 0.0028 0.0171 0.0082
Brugia malayi Augmenter of liver regeneration 0.0041 0.0359 0.2553
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Schistosoma mansoni opsin-like receptor 0.0028 0.0171 0.0267
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0028 0.0171 0.0769
Brugia malayi hypothetical protein 0.0028 0.0171 0.0769
Echinococcus multilocularis neuropeptide s receptor 0.0028 0.0171 0.0085
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0028 0.0171 0.0082
Echinococcus multilocularis G-protein coupled receptor, putative 0.0028 0.0171 0.0085
Loa Loa (eye worm) HMG box family protein 0.0064 0.0686 0.3281
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus sex peptide receptor 0.0028 0.0171 0.0082
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.0349 1
Echinococcus granulosus neuropeptides capa receptor 0.0028 0.0171 0.0082
Echinococcus granulosus dna polymerase kappa 0.0041 0.0349 0.0261
Echinococcus granulosus rhodopsin orphan GPCR 0.0028 0.0171 0.0082
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Loa Loa (eye worm) neuropeptide F receptor 0.0028 0.0171 0.0446
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus G protein coupled receptor 139 0.0028 0.0171 0.0082
Echinococcus multilocularis protein pangolin J 0.0064 0.0686 0.0627
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0028 0.0171 0.0085
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0028 0.0171 0.0082
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0028 0.0171 0.0769
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus 7TM GPCR rhodopsin 0.0028 0.0171 0.0082
Brugia malayi larval opioid receptor 0.0028 0.0171 0.0769
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0028 0.0171 0.0267
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Brugia malayi G protein-coupled receptor F59B2.13 0.0028 0.0171 0.0769
Brugia malayi Melatonin receptor type 1A 0.0028 0.0171 0.0769
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0028 0.0171 0.0085
Brugia malayi G-protein coupled receptor 0.0028 0.0171 0.0769
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.0349 0.9713
Schistosoma mansoni neuropeptide receptor 0.0028 0.0171 0.0267
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0028 0.0171 0.0446
Toxoplasma gondii Erv1 / Alr family protein 0.0041 0.0359 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0171 0.0446
Echinococcus granulosus neuropeptide Y receptor 0.0028 0.0171 0.0082
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.0349 0.9617

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) = 2.648 uM PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787] ChEMBL. No reference
Potency (functional) 0.3359 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 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) 39.8107 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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

Annotated phenotypes:

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