Detailed information for compound 1361176

Basic information

Technical information
  • TDR Targets ID: 1361176
  • Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoeth yl] 4-chloro-3-nitrobenzoate
  • MW: 374.775 | Formula: C18H15ClN2O5
  • H donors: 0 H acceptors: 4 LogP: 3.29 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCc2c(C1)cccc2)COC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
  • InChi: 1S/C18H15ClN2O5/c19-15-6-5-13(9-16(15)21(24)25)18(23)26-11-17(22)20-8-7-12-3-1-2-4-14(12)10-20/h1-6,9H,7-8,10-11H2
  • InChiKey: JFJKHVMUXIUPRG-UHFFFAOYSA-N  

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Synonyms

  • [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] 4-chloro-3-nitro-benzoate
  • 4-chloro-3-nitrobenzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester
  • 4-chloro-3-nitro-benzoic acid [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester
  • T5371426
  • ZINC03505110

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens fatty acid synthase Starlite/ChEMBL No references
Homo sapiens heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania major heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium berghei heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium leprae Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium falciparum heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Theileria parva heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Theileria parva heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide synthase Pks7 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis heat shock protein kDa heat shock kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Brugia malayi heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium parvum heat shock protein, Hsp70 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) acyl carrier protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi heat shock protein 70 (hsp70), putative Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans Cytoplasmic chaperone Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium parvum heat shock 70 (HSP70) protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei gambiense glucose-regulated protein 78, putative,luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma brucei gambiense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum similar to Heat shock 70 kDa protein cognate 4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma cruzi heat shock protein 70 (hsp70), putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium parvum type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania braziliensis heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania donovani heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70 family Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide synthase Pks1 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania major heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide synthase Pks15 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania infantum glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis heat shock protein 70kD, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC Get druggable targets OG5_126633 All targets in OG5_126633
Loa Loa (eye worm) fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Neospora caninum Soraphen polyketide synthase A, related Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium falciparum heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania infantum heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat Shock protein family member hsp 3 Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium hominis heat shock protein 70 precursor Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania donovani heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum ko:K09490 heat shock 70kDa protein 5, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70kD, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Brugia malayi heat shock 70 kDa protein C precursor Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium yoelii heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei gambiense glucose-regulated protein 78, putative,luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks4 Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii type I fatty acid synthase, putative Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma congolense luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans Type I modular polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide synthase Pks9 Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Fatty acid synthase homolog Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania donovani heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Giardia lamblia Bip Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium leprae Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium vivax heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Giardia lamblia Cytosolic HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) heat shock 70kDa protein 5 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania major glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Schistosoma japonicum hypothetical protein Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis microsomal stress 70 protein ATPase core precursor, putative Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma congolense heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70b Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans Cytoplasmic chaperone Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma cruzi glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania mexicana heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70b Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma mansoni heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock kda protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide synthase Pks8 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis heat shock kda protein Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania donovani luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium knowlesi heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Toxoplasma gondii heat shock protein HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Onchocerca volvulus Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica 70 kDa heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein 70 family Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Neospora caninum Heat shock protein 70 (Precursor), related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Babesia bovis heat shock protein 70 precursor, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium leprae PROBABLE POLYKETIDE BETA-KETOACYL SYNTHASE PKS4 Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium knowlesi heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei heat shock protein 70 (hsp70), putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide beta-ketoacyl synthase Pks3 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania mexicana glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus 3'partial|5'partial|heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica hypothetical protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock 70 kda protein 1a Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock 70 kDa protein 1 Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Polyketide synthase Pks13 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium yoelii heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD Get druggable targets OG5_126633 All targets in OG5_126633
Plasmodium vivax heat shock 70 kDa protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania major heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock 70 kDa protein 1A:1B Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA Get druggable targets OG5_126633 All targets in OG5_126633
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsE Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Neospora caninum Heat shock protein 70, related Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Cryptosporidium hominis heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Polyketide synthase Pks2 Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus granulosus Heat shock 70 kDa protein 4 Get druggable targets OG5_126588 All targets in OG5_126588
Toxoplasma gondii AMP-binding enzyme domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Toxoplasma gondii type I fatty acid synthase Get druggable targets OG5_126633 All targets in OG5_126633
Onchocerca volvulus Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma congolense luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock protein 70 (HSP70) Get druggable targets OG5_126588 All targets in OG5_126588
Schistosoma japonicum similar to Heat shock 70 kDa protein homolog, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Toxoplasma gondii chaperonin protein BiP Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas Get druggable targets OG5_126633 All targets in OG5_126633
Entamoeba histolytica heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Polyketide synthase Pks12 Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium ulcerans polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein kDa heat shock kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB Get druggable targets OG5_126633 All targets in OG5_126633
Cryptosporidium parvum polyketide synthase Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis Heat Shock protein family member (hsp 3) Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium falciparum heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania mexicana heat shock protein 70-related protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 related Get druggable targets OG5_126588 All targets in OG5_126588
Babesia bovis dnaK protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Entamoeba histolytica heat shock protein70, hsp70A2, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126633 All targets in OG5_126633
Echinococcus multilocularis Heat shock 70 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Neospora caninum Short-chain dehydrogenase/reductase SDR, related Get druggable targets OG5_126633 All targets in OG5_126633
Trypanosoma brucei luminal binding protein 1 (BiP), putative Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania braziliensis glucose-regulated protein 78, putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans similar to S. cerevisiae KAR2 (YJL034W) HSP70/ BiP family ATPase and chaperone involved in translocation of nascent polypeptides Get druggable targets OG5_126588 All targets in OG5_126588
Plasmodium berghei heat shock protein 70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Neospora caninum KR domain domain-containing protein, putative Get druggable targets OG5_126633 All targets in OG5_126633
Candida albicans heat shock protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trypanosoma brucei heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126588 All targets in OG5_126588
Candida albicans HSP70 Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein kDa Get druggable targets OG5_126588 All targets in OG5_126588
Leishmania braziliensis heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Mycobacterium tuberculosis Probable polyketide synthase Pks5 Get druggable targets OG5_126633 All targets in OG5_126633
Leishmania infantum heat-shock protein hsp70, putative Get druggable targets OG5_126588 All targets in OG5_126588
Trichomonas vaginalis heat shock protein 70 (HSP70)-4, putative Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus granulosus heat shock protein 71 kDa protein Get druggable targets OG5_126588 All targets in OG5_126588
Echinococcus multilocularis heat shock protein 70 Get druggable targets OG5_126588 All targets in OG5_126588
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein Get druggable targets OG5_126633 All targets in OG5_126633
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE Get druggable targets OG5_126633 All targets in OG5_126633

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum heat shock protein 70 heat shock 70kDa protein 5 (glucose-regulated protein, 78kDa) 654 aa 613 aa 51.9 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii type I fatty acid synthase, putative 0.0021 0.2576 0.3708
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0029 0.4191 0.5599
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4773 0.6376
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0025 0.3337 0.4398
Mycobacterium ulcerans polyketide synthase Pks9 0.002 0.2258 0.2981
Trichomonas vaginalis conserved hypothetical protein 0.0009 0 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0024 0.3157 0.4188
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0022 0.2616 0.3495
Loa Loa (eye worm) fatty acid synthase 0.003 0.43 0.4318
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0029 0.4191 0.5599
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4383 0.5834
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0032 0.4773 0.6337
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.0024 0.3157 0.4155
Mycobacterium ulcerans polyketide synthase Pks13 0.0045 0.7486 1
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0032 0.4773 0.6357
Mycobacterium ulcerans polyketide synthase 0.003 0.4383 0.5834
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.002 0.218 0.2574
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0028 0.3971 0.5305
Onchocerca volvulus 0.0052 0.9028 0.9285
Giardia lamblia Methyltransferase like 2 0.0009 0 0.5
Toxoplasma gondii type I fatty acid synthase, putative 0.0032 0.4773 1
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.002 0.2258 0.2941
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.003 0.4383 0.4383
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0032 0.4773 0.6376
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.003 0.4383 0.581
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0032 0.4773 0.6337
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0017 0.1676 0.224
Brugia malayi AMP-binding enzyme family protein 0.0009 0.0039 0.0039
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0032 0.4773 0.6357
Mycobacterium ulcerans thioesterase 0.0025 0.3337 0.443
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4383 0.5856
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.001 0.0267 0.0356
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.003 0.4383 0.581
Schistosoma mansoni methyltransferase-related 0.0009 0 0.5
Mycobacterium ulcerans fatty acid synthase Fas 0.0009 0.0081 0.0056
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0028 0.3971 0.3889
Loa Loa (eye worm) hypothetical protein 0.0017 0.1625 0.0823
Mycobacterium leprae Probable polyketide synthase Pks1 0.0032 0.4773 0.6337
Mycobacterium leprae Polyketide synthase Pks13 0.0045 0.7486 1
Mycobacterium ulcerans thioesterase TesA 0.0025 0.3337 0.443
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4383 0.5834
Mycobacterium ulcerans polyketide synthase 0.0032 0.4773 0.6357
Mycobacterium tuberculosis Probable thioesterase TesA 0.0025 0.3337 0.4459
Loa Loa (eye worm) hypothetical protein 0.0051 0.8648 1
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0009 0.0081 0.0108
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0045 0.7486 1
Mycobacterium tuberculosis Polyketide synthetase MbtD (polyketide synthase) 0.0009 0.0039 0.0052
Mycobacterium ulcerans Type I modular polyketide synthase 0.003 0.4383 0.5834
Brugia malayi AMP-binding enzyme family protein 0.0028 0.3971 0.3971
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.002 0.2258 0.2981
Onchocerca volvulus Fatty acid synthase homolog 0.0054 0.9418 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0045 0.7486 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.003 0.4383 0.5856
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.003 0.4383 0.5856
Leishmania major hypothetical protein, conserved 0.0009 0 0.5
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.003 0.4383 0.5834
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0032 0.4773 0.6376
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.0025 0.324 0.4329
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.0024 0.3157 0.4188
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.0012 0.0647 0.0864

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 2.41 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of the thioesterase domain of fatty acid synthase via a kinetic, fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 5.45 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits of the thioesterase domain of fatty acid synthase via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inducers of the Endoplasmic Reticulum Stress Response (ERSR) in Human Glioma: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 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) 23.1093 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 32.6294 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS Assay to Find Inhibitors of T. brucei phosphofructokinase. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488768, AID492961] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

Bibliographic References

No literature references available for this target.

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