Detailed information for compound 717274

Basic information

Technical information
  • TDR Targets ID: 717274
  • Name: 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2, 4-triazol-1-yl]-2-methoxyethanone
  • MW: 411.454 | Formula: C21H25N5O4
  • H donors: 2 H acceptors: 3 LogP: 3.89 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(=O)n1nc(nc1NCc1ccc(cc1)OC)NCc1ccc(cc1)OC
  • InChi: 1S/C21H25N5O4/c1-28-14-19(27)26-21(23-13-16-6-10-18(30-3)11-7-16)24-20(25-26)22-12-15-4-8-17(29-2)9-5-15/h4-11H,12-14H2,1-3H3,(H2,22,23,24,25)
  • InChiKey: FNUKYNYXVWGTEW-UHFFFAOYSA-N  


Substructure search Similarity search

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Synonyms

  • 1-[3,5-bis[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]-2-methoxy-ethanone
  • 1-[3,5-bis[(4-methoxybenzyl)amino]-1,2,4-triazol-1-yl]-2-methoxy-ethanone
  • MLS000052760
  • SMR000082556
  • STK169714
  • MLS000911180
  • ZINC01069777
  • 1-(methoxyacetyl)-N,N'-bis(4-methoxybenzyl)-1H-1,2,4-triazole-3,5-diamine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class A member 1 Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Plasmodium falciparum heat shock protein 90, putative Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90, related Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax heat shock protein 86, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis heat shock protein 90 Get druggable targets OG5_144951 All targets in OG5_144951
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax heat shock protein, putative Get druggable targets OG5_144951 All targets in OG5_144951
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii Hsp90 domain-containing protein Get druggable targets OG5_144951 All targets in OG5_144951
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Cryptosporidium parvum Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans hypothetical protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii heat shock protein HSP90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Theileria parva heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Neospora caninum heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock protein 83 Get druggable targets OG5_144951 All targets in OG5_144951
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2859 0.514
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0052 0.1542 0.5
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4873 1
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2859 0.514
Giardia lamblia Grp94/Hsp90 0.0052 0.1542 0.0689
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.1724 0.2402
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.4873 1
Trypanosoma brucei Heat shock protein 83, putative 0.0055 0.1724 0.2402
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2859 0.514
Brugia malayi Endoplasmin precursor 0.0055 0.1724 0.2402
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.4873 1
Loa Loa (eye worm) heat shock protein 90 0.0055 0.1724 0.2402
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2689 0.473
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.1724 0.2402
Schistosoma mansoni heat shock protein 0.0055 0.1724 0.2402
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2859 0.514
Trichomonas vaginalis heat shock protein, putative 0.0055 0.1724 0.2829
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2689 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4873 1
Plasmodium vivax heat shock protein, putative 0.021 1 1
Giardia lamblia Kinase, PLK 0.0114 0.4873 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2859 0.514
Trypanosoma cruzi Heat shock protein 83, putative 0.0055 0.1724 0.3538
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2689 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1785 0.2967
Trichomonas vaginalis endoplasmin, putative 0.004 0.0911 0.0976
Treponema pallidum heat shock protein 90 0.0052 0.1542 0.5
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.1724 0.3538
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0052 0.1542 0.5
Schistosoma mansoni heat shock protein 0.0055 0.1724 0.2402
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.1296 0.2659
Toxoplasma gondii heat shock protein HSP90 0.0055 0.1724 0.1074
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Echinococcus multilocularis heat shock protein 90 0.0055 0.1724 0.2402
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Trypanosoma brucei polo-like protein kinase 0.0114 0.4873 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2689 0.473
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2689 0.473
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4873 1
Trichomonas vaginalis heat shock protein, putative 0.0047 0.1296 0.1853
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0052 0.1542 0.1963
Brugia malayi TAR-binding protein 0.0076 0.2859 0.514
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2859 0.514
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2689 0.2114
Schistosoma mansoni endoplasmin 0.0055 0.1724 0.2402
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4873 1
Schistosoma mansoni endoplasmin 0.0055 0.1724 0.2402
Giardia lamblia Heat shock protein HSP 90-alpha 0.0055 0.1724 0.1198
Loa Loa (eye worm) endoplasmin 0.0055 0.1724 0.2402
Trypanosoma cruzi heat shock protein, putative 0.0037 0.0729 0.1495
Toxoplasma gondii Hsp90 domain-containing protein 0.021 1 1
Trichomonas vaginalis heat shock protein, putative 0.004 0.0911 0.0976
Echinococcus multilocularis endoplasmin 0.0052 0.1542 0.1963
Echinococcus granulosus heat shock protein 90 0.0047 0.1296 0.1368
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.1724 0.2402
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Plasmodium falciparum heat shock protein 90 0.0055 0.1724 0.1305
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4873 1
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.1724 0.2402
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2689 0.473
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Trypanosoma cruzi heat shock protein 90, putative 0.0047 0.1296 0.2659
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.4873 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.2859 0.514
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2689 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0047 0.1296 0.1368
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2859 0.514
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.1724 0.3538
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Echinococcus multilocularis heat shock protein 0.0055 0.1724 0.2402
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.4873 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.4873 1
Brugia malayi RNA binding protein 0.0076 0.2859 0.514
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4873 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2859 0.514
Plasmodium falciparum endoplasmin, putative 0.004 0.0911 0.045
Echinococcus multilocularis heat shock protein 90 0.0047 0.1296 0.1368
Schistosoma mansoni kinase 0.0058 0.1866 0.2744
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.1724 0.3538
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2689 1
Brugia malayi heat shock protein 90 0.0055 0.1724 0.2402
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.4873 1
Trypanosoma brucei heat shock protein, putative 0.0055 0.1724 0.2402
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.4873 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.1785 0.2967
Trichomonas vaginalis heat shock protein, putative 0.0052 0.1542 0.2414
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Loa Loa (eye worm) RNA binding protein 0.0076 0.2859 0.514
Trypanosoma cruzi heat shock protein 90, putative 0.0055 0.1724 0.3538
Trichomonas vaginalis heat shock protein, putative 0.0052 0.1542 0.2414
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.4873 1
Echinococcus granulosus endoplasmin 0.0052 0.1542 0.1963
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.4873 1
Plasmodium vivax endoplasmin, putative 0.0055 0.1724 0.1074
Echinococcus granulosus heat shock protein 90 0.0055 0.1724 0.2402
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2859 0.514
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.4873 1
Echinococcus granulosus heat shock protein 0.0055 0.1724 0.2402
Plasmodium vivax heat shock protein 86, putative 0.0055 0.1724 0.1074
Toxoplasma gondii heat shock protein 90, putative 0.0055 0.1724 0.1074
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2689 0.473
Leishmania major heat shock protein 83-1 0.0055 0.1724 0.2402
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.4873 1

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 8.063 uM PUBCHEM_BIOASSAY: Anti-Malarial Hsp90 Inhibitors Measured in Microorganism System Using Plate Reader - 2121-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596] ChEMBL. No reference
AC50 (functional) = 8.123 uM PUBCHEM_BIOASSAY: HsHsp90 Counterscreen Measured in Microorganism System Using Plate Reader - 2121-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504596] ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.9173 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 24.9271 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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