Detailed information for compound 1455473

Basic information

Technical information
  • TDR Targets ID: 1455473
  • Name: 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)bu tyl]-1H-indole-5-carboxylic acid hydrochlorid e
  • MW: 410.936 | Formula: C24H27ClN2O2
  • H donors: 2 H acceptors: 2 LogP: 2.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1ccc2c(c1)c(CCCCN1CCC(=CC1)c1ccccc1)c[nH]2.Cl
  • InChi: 1S/C24H26N2O2.ClH/c27-24(28)20-9-10-23-22(16-20)21(17-25-23)8-4-5-13-26-14-11-19(12-15-26)18-6-2-1-3-7-18;/h1-3,6-7,9-11,16-17,25H,4-5,8,12-15H2,(H,27,28);1H
  • InChiKey: LRJUHOBITQUXIO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCGC00092328-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase No references
Homo sapiens lysine (K)-specific methyltransferase 2A 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
Trichomonas vaginalis DNA polymerase IV / kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans hypothetical protein Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei apurinic/apyrimidinic 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
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 ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma congolense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Leishmania donovani ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense ATP-dependent phosphofructokinase,6-phospho-1-fructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni ap endonuclease 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
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana 6-phospho-1-fructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K00850 6-phosphofructokinase [EC2.7.1.11], putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Schistosoma mansoni ap endonuclease 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
Brugia malayi 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania braziliensis ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Trichomonas vaginalis phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania infantum ATP-dependent phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Candida albicans phosphofructokinase beta-subunit that can functionally substitute for S. cerevisiae PFK2 (YMR205C) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus 6 phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi polk-prov protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase Get druggable targets OG5_126758 All targets in OG5_126758
Entamoeba histolytica phosphofructokinase, putative Get druggable targets OG5_126758 All targets in OG5_126758
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis ap endonuclease, putative 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 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Giardia lamblia DINP protein human, muc B family Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Candida albicans phosphofructokinase alpha subunit that can functionally substitute for S. cerevisiae PFK1 (YGR240C) Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) Get druggable targets OG5_126758 All targets in OG5_126758
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
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, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense 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
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni 6-phosphofructokinase Get druggable targets OG5_126758 All targets in OG5_126758
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) Get druggable targets OG5_126758 All targets in OG5_126758
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi exodeoxyribonuclease III family protein 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
Loa Loa (eye worm) hypothetical protein 0.0026 0.1471 0.1276
Brugia malayi 6-phosphofructokinase 0.0131 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.223 0.1175
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1196 0.0947
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.223 0.1175
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0224 0.0172
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.062 0.0571
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.3357 0.3212
Entamoeba histolytica phosphofructokinase, putative 0.0131 1 1
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0035 0.223 0.1175
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.2321 0.2104
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1196 0.1196
Loa Loa (eye worm) hypothetical protein 0.0037 0.2321 0.2145
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0131 1 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0395 0.0344
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1196 0.0947
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.223 1
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 1 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0069 0.4925 0.4236
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Schistosoma mansoni ap endonuclease 0.0023 0.1196 0.1149
Schistosoma mansoni hypothetical protein 0.0016 0.062 0.0571
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.4229 0.4066
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.151 0.1316
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.4229 0.4199
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1196 0.0947
Toxoplasma gondii phosphofructokinase PFKII 0.0035 0.223 0.4436
Entamoeba histolytica phosphofructokinase, putative 0.0131 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0037 0.2321 0.228
Mycobacterium ulcerans DNA polymerase IV 0.0069 0.4925 0.4782
Leishmania major ATP-dependent phosphofructokinase 0.0131 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 1 1
Echinococcus granulosus lamin dm0 0.0027 0.151 0.1466
Echinococcus granulosus GPCR family 2 0.0016 0.062 0.0571
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.3357 0.3212
Schistosoma mansoni DNA polymerase eta 0.0037 0.2321 0.228
Schistosoma mansoni lamin 0.0027 0.151 0.1466
Trypanosoma brucei unspecified product 0.0025 0.14 0.1157
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.2046 0.1822
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.4229 0.4199
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.223 0.1175
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.223 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.2046 0.1822
Echinococcus multilocularis 6 phosphofructokinase 0.0131 1 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0395 0.0174
Schistosoma mansoni DNA polymerase IV / kappa 0.0011 0.0275 0.0223
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0035 0.223 0.7262
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.062 0.0571
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1196 0.5
Trypanosoma brucei unspecified product 0.0025 0.14 0.1157
Echinococcus granulosus cpg binding protein 0.0037 0.2327 0.2286
Loa Loa (eye worm) hypothetical protein 0.0016 0.062 0.0405
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.3357 0.3204
Entamoeba histolytica phosphofructokinase, putative 0.0131 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.2327 0.2286
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.4229 0.4066
Trypanosoma brucei DNA polymerase kappa, putative 0.0033 0.2046 0.1822
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.4683 1
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.209 0.1918
Brugia malayi 6-phosphofructokinase 0.0131 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0355 0.0134
Plasmodium vivax 6-phosphofructokinase, putative 0.0035 0.223 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0509 0.0303
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 1 1
Schistosoma mansoni 6-phosphofructokinase 0.0131 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.2879 0.2716
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0035 0.223 0.1175
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.2879 0.2678
Schistosoma mansoni cpg binding protein 0.0035 0.2167 0.2125
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Brugia malayi intermediate filament protein 0.0027 0.151 0.1326
Echinococcus multilocularis GPCR, family 2 0.0016 0.062 0.0571
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0045 0.2967 0.2769
Trypanosoma brucei unspecified product 0.0061 0.4279 0.4118
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0035 0.223 0.4436
Brugia malayi ImpB/MucB/SamB family protein 0.0037 0.2321 0.2154
Mycobacterium tuberculosis Conserved hypothetical protein 0.0037 0.2321 0.2321
Loa Loa (eye worm) hypothetical protein 0.0034 0.209 0.1909
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1196 0.0994
Schistosoma mansoni intermediate filament proteins 0.0027 0.151 0.1466
Loa Loa (eye worm) hypothetical protein 0.0049 0.3357 0.3204
Echinococcus multilocularis cpg binding protein 0.0037 0.2327 0.2286
Brugia malayi Latrophilin receptor protein 2 0.0016 0.062 0.0416
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0131 1 1
Echinococcus granulosus dna polymerase kappa 0.0069 0.4925 0.4899
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0045 0.2967 0.2967
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0035 0.223 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0043 0.2879 0.2678
Schistosoma mansoni hypothetical protein 0.0016 0.062 0.0571
Loa Loa (eye worm) intermediate filament protein 0.0027 0.151 0.1316
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.4229 0.4199
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0037 0.2321 0.2145
Echinococcus multilocularis lamin dm0 0.0027 0.151 0.1466
Echinococcus multilocularis dna polymerase kappa 0.0069 0.4925 0.4899
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Schistosoma mansoni hypothetical protein 0.0016 0.062 0.0571
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1196 0.0947
Schistosoma mansoni hypothetical protein 0.0034 0.209 0.2048
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.2167 0.1996
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0131 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0355 0.0134
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.4229 0.4199
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0037 0.2321 0.228
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0509 0.0292
Echinococcus multilocularis dna polymerase eta 0.0037 0.2321 0.228
Schistosoma mansoni ap endonuclease 0.0023 0.1196 0.1149
Schistosoma mansoni hypothetical protein 0.0016 0.062 0.0571
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.151 0.1326
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Trypanosoma cruzi DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2167 0.1987
Toxoplasma gondii 6-phosphofructokinase 0.0035 0.223 0.4436
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.223 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1196 0.1149
Onchocerca volvulus 0.0035 0.2167 1
Echinococcus multilocularis lamin 0.0027 0.151 0.1466
Schistosoma mansoni cpg binding protein 0.0037 0.2327 0.2286
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.062 0.0571
Loa Loa (eye worm) 6-phosphofructokinase 0.0131 1 1
Toxoplasma gondii exonuclease III APE 0.0023 0.1196 0.2089
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0131 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1196 0.1004
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0035 0.223 0.1175
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.4229 0.4229
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1196 0.4711
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.532 0.5295
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.223 0.1175
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.2967 0.2769
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.4229 0.8971
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0224 0.0172
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.223 0.1175
Schistosoma mansoni lamin 0.0027 0.151 0.1466
Echinococcus multilocularis musashi 0.0027 0.151 0.1466
Trypanosoma brucei DNA polymerase IV, putative 0.0061 0.4279 0.4118
Trypanosoma brucei DNA polymerase eta, putative 0.0037 0.2321 0.2104
Mycobacterium ulcerans DNA polymerase IV 0.0069 0.4925 0.4782
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0069 0.4925 0.4236
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0035 0.223 0.5
Echinococcus granulosus intermediate filament protein 0.0027 0.151 0.1466
Giardia lamblia DINP protein human, muc B family 0.0045 0.2967 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1196 0.0947
Entamoeba histolytica deoxycytidyl transferase, putative 0.0037 0.2321 0.1278
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0037 0.2321 0.228
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.4229 0.4066
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.062 0.0571
Brugia malayi polk-prov protein 0.0043 0.2879 0.2724
Trypanosoma brucei DNA polymerase IV, putative 0.0069 0.4925 0.4782
Mycobacterium ulcerans 6-phosphofructokinase 0.0131 1 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1196 0.4711
Echinococcus granulosus lamin 0.0027 0.151 0.1466
Trichomonas vaginalis phosphofructokinase, putative 0.0035 0.223 0.1175
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.062 0.0405
Leishmania major DNA polymerase kappa, putative 0.0045 0.2967 0.2769
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.4229 0.4066
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1196 0.3421
Leishmania major DNA polymerase eta, putative 0.0037 0.2321 0.2104
Trypanosoma brucei DNA polymerase IV, putative 0.0069 0.4925 0.4782
Echinococcus granulosus 6 phosphofructokinase 0.0131 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.151 0.1316
Brugia malayi ImpB/MucB/SamB family protein 0.0037 0.2321 0.2154
Trypanosoma brucei DNA polymerase kappa, putative 0.0069 0.4925 0.4782
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0395 0.0344
Echinococcus granulosus dna polymerase eta 0.0037 0.2321 0.228
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0037 0.2321 0.228
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.062 0.0416
Trichomonas vaginalis phosphofructokinase, putative 0.0131 1 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1196 0.1149
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0019 0.0921 0.1466
Loa Loa (eye worm) phosphofructokinase 0.0131 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: Confirmation qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) [Related pubchem assays: 1705 (qHTS Validation Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1) ), 2324 (Probe Development Summary of Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)), 1707 (Counterscreen for APE1 Inhibitors: Fluorescent Dye Displacement Validation Assay), 2517 (qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1)), 1708 (Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV)] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase: hit validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485367, AID485368, AID488768] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 63.0957 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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