Detailed information for compound 1406508

Basic information

Technical information
  • TDR Targets ID: 1406508
  • Name: 4-amino-3-[[(6S,9S,12S)-12-(hydroxymethyl)-9- [(4-hydroxyphenyl)methyl]-19-iodo-17-nitro-8, 11,14-trioxo2,7,10,13-tetrazabicyclo[13.4.0]n onadeca-1(15),16,18-triene-6-carbonyl]amino]- 4-oxobutanoic acid
  • MW: 769.498 | Formula: C28H32IN7O11
  • H donors: 9 H acceptors: 11 LogP: 0.24 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 4
  • SMILES: OC[C@@H]1NC(=O)c2cc(cc(c2NCCC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)NC(C(=O)N)CC(=O)O)I)[N+](=O)[O-]
  • InChi: 1S/C28H32IN7O11/c29-17-10-14(36(46)47)9-16-23(17)31-7-1-2-18(26(43)33-19(24(30)41)11-22(39)40)32-27(44)20(8-13-3-5-15(38)6-4-13)34-28(45)21(12-37)35-25(16)42/h3-6,9-10,18-21,31,37-38H,1-2,7-8,11-12H2,(H2,30,41)(H,32,44)(H,33,43)(H,34,45)(H,35,42)(H,39,40)/t18-,19?,20-,21-/m0/s1
  • InChiKey: VRJSQKPUUNHNFN-JMESPPODSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-3-[[(6S,9S,12S)-12-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-19-iodo-17-nitro-8,11,14-trioxo-2,7,10,13-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6-carbonyl]amino]-4-oxo-butanoic acid
  • 4-amino-3-[[[(6S,9S,12S)-12-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-19-iodo-17-nitro-8,11,14-trioxo-2,7,10,13-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-6-yl]-oxomethyl]amino]-4-oxobutanoic acid
  • 4-amino-3-[[(6S,9S,12S)-9-(4-hydroxybenzyl)-19-iodo-8,11,14-triketo-12-methylol-17-nitro-2,7,10,13-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-6-carbonyl]amino]-4-keto-butyric acid
  • 4-amino-3-[[(6S,9S,12S)-12-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-19-iodo-17-nitro-8,11,14-trioxo-2,7,10,13-tetrazabicyclo[13.4.0]nonadeca-1(15),16,18-trien-6-yl]carbonylamino]-4-oxo-butanoic acid
  • MLS000560427
  • SMR000129203

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta 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
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical 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
Plasmodium falciparum NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Carboxy-terminal domain RNA polymerase II polypeptide A smallphosphatase 1 Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense TFIIF-stimulated CTD phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni ap endonuclease 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
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K01090 protein phosphatase [EC3.1.3.16], putative Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium knowlesi NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus CTD small phosphatase protein like Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma mansoni nuclear lim interactor-interacting factor (nli-interacting factor) (nli-if) Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Carboxy terminal domain RNA polymerase II Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma congolense hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania donovani dullard-like phosphatase domain containing protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Babesia bovis Dullard-like phosphatase domain containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei NLI interacting factor-like phosphatase Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum CTD small phosphatase-like protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus multilocularis Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium yoelii NLI interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei Mitochondrial import inner membrane translocase subunit TIM50 Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Neospora caninum hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Theileria parva nuclear LIM interactor-interacting factor 1, putative Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Giardia lamblia Nuclear LIM interactor-interacting factor 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Trypanosoma cruzi 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii Dullard family phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trichomonas vaginalis nuclear lim interactor-interacting factor, putative Get druggable targets OG5_127075 All targets in OG5_127075
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni hypothetical protein Get druggable targets OG5_127075 All targets in OG5_127075
Candida albicans Plasma membrane Sodium Response 1 Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_127075 All targets in OG5_127075
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis dullard protein, putative Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica NLI interacting factor-like phosphatase domain-containing protein Get druggable targets OG5_127075 All targets in OG5_127075
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium vivax NLI interacting factor-like phosphatase, putative Get druggable targets OG5_127075 All targets in OG5_127075
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei TFIIF-stimulated CTD phosphatase, putative CTD (carboxy-terminal domain, RNA polymerase II, polypeptide A) small phosphatase 1 260 aa 263 aa 27.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0024 0.0236
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0172 0.0172
Echinococcus multilocularis dna polymerase eta 0.0054 0.0868 0.2363
Echinococcus multilocularis muscleblind protein 1 0.018 0.3672 1
Mycobacterium ulcerans glutaminase 0.033 0.6995 1
Brugia malayi glutaminase DH11.1 0.033 0.6995 0.6995
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0185 0.0185
Echinococcus granulosus rho-associated protein kinase 1 0.0152 0.3049 0.8304
Giardia lamblia DINP protein human, muc B family 0.0023 0.0185 0.1804
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0061 0.1024 1
Trypanosoma brucei unspecified product 0.0016 0.0024 0.0236
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0868 0.8471
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0185 0.0264
Mycobacterium leprae CONSERVED HYPOTHETICAL PROTEIN 0.0153 0.3058 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0172 0.1675
Echinococcus granulosus muscleblind protein 0.018 0.3672 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0185 0.0503
Plasmodium falciparum serine/threonine protein kinase, putative 0.0061 0.1024 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0172 0.0467
Trichomonas vaginalis AGC family protein kinase 0.0061 0.1024 0.1464
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0185 0.1804
Trichomonas vaginalis glutaminase, putative 0.033 0.6995 1
Trypanosoma cruzi aurora B kinase, putative 0.0061 0.1024 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Loa Loa (eye worm) glutaminase 2 0.033 0.6995 0.6995
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0061 0.1024 0.2789
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Echinococcus granulosus aurora kinase A 0.0061 0.1024 0.2789
Leishmania major protein kinase, putative 0.0061 0.1024 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0172 0.1675
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0511 0.4987
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0172 0.0245
Entamoeba histolytica protein kinase domain containing protein 0.0061 0.1024 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0172 0.1675
Loa Loa (eye worm) AUR protein kinase 0.0061 0.1024 0.1024
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0172 0.1675
Trypanosoma brucei unspecified product 0.0023 0.0185 0.1804
Toxoplasma gondii aurora kinase 0.0061 0.1024 1
Trypanosoma brucei aurora B kinase 0.0061 0.1024 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0172 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Schistosoma mansoni serine/threonine protein kinase 0.0152 0.3049 0.4358
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0185 0.1804
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0061 0.1024 1
Brugia malayi Muscleblind-like protein 0.018 0.3672 0.3672
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Echinococcus granulosus dna polymerase eta 0.0054 0.0868 0.2363
Echinococcus multilocularis rho associated protein kinase 0.0152 0.3049 0.8304
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.0868 0.8471
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0172 0.5
Giardia lamblia Aurora kinase 0.0061 0.1024 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0172 0.0467
Loa Loa (eye worm) hypothetical protein 0.018 0.3672 0.3672
Schistosoma mansoni DNA polymerase eta 0.0054 0.0868 0.124
Trypanosoma brucei unspecified product 0.0016 0.0024 0.0236
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0185 0.0264
Brugia malayi serine/threonine protein kinase 6 0.0061 0.1024 0.1024
Trichomonas vaginalis AGC family protein kinase 0.0061 0.1024 0.1464
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0172 0.1675
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0185 0.0185
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0172 0.1675
Loa Loa (eye worm) glutaminase 0.033 0.6995 0.6995
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0185 0.0046
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0185 0.0503
Leishmania major DNA polymerase eta, putative 0.0054 0.0868 0.8471
Echinococcus multilocularis aurora kinase A 0.0061 0.1024 0.2789
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0185 0.0019
Mycobacterium ulcerans hypothetical protein 0.0153 0.3058 0.4231
Schistosoma mansoni protein kinase 0.0061 0.1024 0.1464
Loa Loa (eye worm) AUR protein kinase 0.0061 0.1024 0.1024
Loa Loa (eye worm) hypothetical protein 0.018 0.3672 0.3672
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0185 0.1804
Loa Loa (eye worm) AUR protein kinase 0.0061 0.1024 0.1024
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0024 0.0236
Onchocerca volvulus 0.0152 0.3049 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0172 0.0172
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0185 0.0503
Brugia malayi serine/threonine kinase 12 0.0061 0.1024 0.1024
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.0868 0.0868
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0185 0.1804
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0185 0.1804
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.1024 0.1464
Entamoeba histolytica protein kinase, putative 0.0061 0.1024 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0061 0.1024 0.2789
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0061 0.1024 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0511 0.4987
Schistosoma mansoni glutaminase 0.033 0.6995 1
Brugia malayi serine/threonine-protein kinase 6 0.0061 0.1024 0.1024
Schistosoma mansoni ap endonuclease 0.0023 0.0172 0.0245
Toxoplasma gondii exonuclease III APE 0.0023 0.0172 0.1675
Entamoeba histolytica protein kinase, putative 0.0061 0.1024 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Schistosoma mansoni ap endonuclease 0.0023 0.0172 0.0245
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0024 0.0236
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0172 0.1675
Loa Loa (eye worm) hypothetical protein 0.0054 0.0868 0.0868
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0185 0.0019
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0172 0.0245
Entamoeba histolytica protein kinase , putative 0.0061 0.1024 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0153 0.3058 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Trichomonas vaginalis AGC family protein kinase 0.0061 0.1024 0.1464
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0172 0.1675
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0061 0.1024 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0185 0.0264
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0185 0.0046
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0185 0.0264
Leishmania major DNA polymerase eta, putative 0.0038 0.0511 0.4987
Trichomonas vaginalis AGC family protein kinase 0.0061 0.1024 0.1464
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0185 0.0503
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0185 0.1804
Echinococcus multilocularis muscleblind protein 0.018 0.3672 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 19.712 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase using a colorimetric assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493091, AID493120] ChEMBL. No reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 17.7828 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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