Detailed information for compound 780673

Basic information

Technical information
  • TDR Targets ID: 780673
  • Name: 1-(3-methylphenyl)pyrrole-2,5-dione
  • MW: 187.195 | Formula: C11H9NO2
  • H donors: 0 H acceptors: 2 LogP: 1.4 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N1C(=O)C=CC1=O
  • InChi: 1S/C11H9NO2/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(12)14/h2-7H,1H3
  • InChiKey: PRZFFHNZHXGTRC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-methylphenyl)-3-pyrroline-2,5-quinone
  • 20299-79-0
  • A1028/0048166
  • EU-0084446
  • NSC62639
  • NCIOpen2_000169
  • ZINC00207239

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Homo sapiens monoglyceride lipase Starlite/ChEMBL References
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Plasmodium falciparum heat shock protein 90, putative Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class A member 1 Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi 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
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Heat shock protein HSP 90-beta, putative 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
Plasmodium vivax endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma japonicum ko:K09487 heat shock protein 90kDa beta, putative 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
Plasmodium berghei heat shock protein 90, putative 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 heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii Hsp90 domain-containing protein Get druggable targets OG5_144951 All targets in OG5_144951
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium falciparum heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Neospora caninum HSP90, related 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 Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium vivax heat shock protein, putative Get druggable targets OG5_144951 All targets in OG5_144951
Cryptosporidium parvum Hsp90 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 braziliensis heat shock protein 83-1 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
Leishmania major heat shock protein 83-1 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
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Treponema pallidum heat shock protein 90 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
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) endoplasmin 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
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
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
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma congolense heat shock protein 90, 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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 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 japonicum ko:K04079 molecular chaperone HtpG, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni heat shock protein 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
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii putative heat shock protein 81-2 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 congolense 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
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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Toxoplasma gondii heat shock protein HSP90 Get druggable targets OG5_126623 All targets in OG5_126623
Mycobacterium ulcerans lysophospholipase Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma cruzi monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum esterase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi heat shock protein 90 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
Candida albicans hypothetical protein 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
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Heat shock protein HSP 90-alpha Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin 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
Trypanosoma brucei heat shock protein 90, 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
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei heat shock protein, 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
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Schistosoma japonicum Heat shock protein 83, 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
Echinococcus granulosus heat shock protein 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
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
Plasmodium yoelii heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans similar to YJU3 Get druggable targets OG5_127037 All targets in OG5_127037
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) heat shock protein 90 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
Leishmania braziliensis monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium tuberculosis Possible lysophospholipase Get druggable targets OG5_127037 All targets in OG5_127037
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis heat shock protein, putative 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
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania donovani monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans similar to YJU3 Get druggable targets OG5_127037 All targets in OG5_127037
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
Trichomonas vaginalis heat shock protein, 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
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi 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 major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis valacyclovir hydrolase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium ulcerans heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
Trypanosoma brucei monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei Heat shock protein 83, 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
Plasmodium falciparum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Plasmodium vivax PST-A protein Get druggable targets OG5_127037 All targets in OG5_127037
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
Neospora caninum heat shock protein 90, putative Get druggable targets OG5_144951 All targets in OG5_144951
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
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense 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
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein Get druggable targets OG5_127037 All targets in OG5_127037
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 brucei gambiense monoglyceride lipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE Get druggable targets OG5_127037 All targets in OG5_127037
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
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) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase Get druggable targets OG5_127037 All targets in OG5_127037
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium falciparum lysophospholipase, putative Get druggable targets OG5_127037 All targets in OG5_127037
Leishmania braziliensis heat shock protein 83-1 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
Giardia lamblia Heat shock protein HSP 90-alpha 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum esterase, putative monoglyceride lipase 303 aa 254 aa 19.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0948 0.1721
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0047 0.0855 0.1515
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0845 0.288
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Trichomonas vaginalis heat shock protein, putative 0.0052 0.1113 0.3796
Echinococcus granulosus heat shock protein 90 0.0047 0.0855 0.1515
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0084 0.2933 1
Plasmodium vivax heat shock protein 90, putative 0.0037 0.0259 0.0089
Plasmodium vivax heat shock protein 86, putative 0.0055 0.1305 0.1153
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2933 0.2933
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Loa Loa (eye worm) heat shock protein 90 0.0055 0.1305 0.4113
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0052 0.1113 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0271 0.0361
Loa Loa (eye worm) hypothetical protein 0.0047 0.0845 0.2443
Brugia malayi jmjC domain containing protein 0.0043 0.0588 0.0925
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.1305 0.3912
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Trypanosoma brucei heat shock protein 90, putative 0.0055 0.1305 0.3912
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2933 1
Mycobacterium tuberculosis Possible lysophospholipase 0.0084 0.2933 1
Onchocerca volvulus 0.0037 0.0271 0.1137
Plasmodium falciparum phd finger protein, putative 0.0035 0.0171 0.0171
Schistosoma mansoni heat shock protein 0.0037 0.0259 0.0275
Echinococcus granulosus heat shock protein 0.0055 0.1305 0.2513
Trichomonas vaginalis heat shock protein, putative 0.0055 0.1305 0.4449
Brugia malayi Heterochromatin protein 1 0.0084 0.2927 0.6108
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0588 0.0925
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.2933 1
Echinococcus multilocularis endoplasmin 0.0052 0.1113 0.2088
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Trypanosoma cruzi heat shock protein 90, putative 0.0055 0.1305 0.3912
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Schistosoma mansoni chromobox protein 0.0084 0.2927 0.8675
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0948 0.1721
Echinococcus granulosus chromobox protein 1 0.0084 0.2927 0.6108
Echinococcus multilocularis heat shock protein 0.0055 0.1305 0.2513
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2933 0.2933
Echinococcus granulosus chromobox protein 1 0.0084 0.2927 0.6108
Plasmodium falciparum endoplasmin, putative 0.004 0.045 0.045
Brugia malayi Endoplasmin precursor 0.0055 0.1305 0.2513
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0588 0.1514
Trypanosoma cruzi monoglyceride lipase, putative 0.0084 0.2933 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0845 0.288
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Schistosoma mansoni endoplasmin 0.0055 0.1305 0.3568
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2927 0.9981
Schistosoma mansoni heat shock protein 0.0055 0.1305 0.3568
Trichomonas vaginalis endoplasmin, putative 0.004 0.045 0.1535
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0037 0.0259 0.1
Trypanosoma cruzi heat shock protein 85, putative 0.0047 0.0855 0.2228
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0588 0.1313
Plasmodium vivax PST-A protein 0.0084 0.2933 0.281
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0588 0.0925
Loa Loa (eye worm) hypothetical protein 0.006 0.1588 0.5141
Trypanosoma cruzi Heat shock protein 83, putative 0.0055 0.1305 0.3912
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.2283 0.7662
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.1305 0.3912
Brugia malayi Hsp90 protein 0.0037 0.0259 0.0194
Toxoplasma gondii heat shock protein 90, putative 0.0055 0.1305 0.1153
Leishmania major monoglyceride lipase, putative 0.0084 0.2933 1
Treponema pallidum heat shock protein 90 0.0052 0.1113 0.5
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0037 0.0259 0.0194
Schistosoma mansoni jumonji domain containing protein 0.0092 0.3348 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.2933 1
Echinococcus multilocularis heat shock protein 90 0.0055 0.1305 0.2513
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Giardia lamblia Heat shock protein HSP 90-alpha 0.0047 0.0855 0.6028
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0037 0.0259 0.0194
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0588 0.1313
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0052 0.1113 0.3196
Echinococcus multilocularis chromobox protein 1 0.0084 0.2927 0.6108
Giardia lamblia Heat shock protein HSP 90-alpha 0.0055 0.1305 1
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0845 0.7695
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.2933 1
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0084 0.2933 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1046 0.3568
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2933 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.2927 0.6108
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2933 1
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Loa Loa (eye worm) heat shock protein 75 0.0037 0.0259 0.0318
Giardia lamblia Grp94/Hsp90 0.0052 0.1113 0.8311
Plasmodium vivax heat shock protein, putative 0.021 1 1
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.1305 0.3912
Loa Loa (eye worm) endoplasmin 0.0055 0.1305 0.4113
Trichomonas vaginalis heat shock protein, putative 0.0047 0.0855 0.2914
Trypanosoma brucei Heat shock protein 83, putative 0.0055 0.1305 0.3912
Schistosoma mansoni heat shock protein 0.0055 0.1305 0.3568
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Trichomonas vaginalis conserved hypothetical protein 0.0084 0.2933 1
Trypanosoma brucei monoglyceride lipase, putative 0.0084 0.2933 1
Trypanosoma cruzi heat shock protein 90, putative 0.0047 0.0855 0.2228
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Plasmodium falciparum lysophospholipase, putative 0.0084 0.2933 0.2933
Plasmodium vivax endoplasmin, putative 0.0055 0.1305 0.1153
Echinococcus granulosus endoplasmin 0.0052 0.1113 0.2088
Brugia malayi chromobox protein homolog 3 0.0047 0.0845 0.1493
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Brugia malayi heat shock protein 90 0.0055 0.1305 0.2513
Toxoplasma gondii Hsp90 domain-containing protein 0.021 1 1
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Toxoplasma gondii heat shock protein 75, putative 0.0037 0.0259 0.0089
Schistosoma mansoni endoplasmin 0.0055 0.1305 0.3568
Plasmodium falciparum esterase, putative 0.0084 0.2933 0.2933
Plasmodium falciparum heat shock protein 90 0.0055 0.1305 0.1305
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.4683 1
Trichomonas vaginalis chromobox protein, putative 0.0084 0.2927 0.9981
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0069 0.0235
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.1305 0.3912
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.1046 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.4683 1
Echinococcus multilocularis heat shock protein 90 0.0047 0.0855 0.1515
Trichomonas vaginalis heat shock protein, putative 0.004 0.045 0.1535
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0084 0.2933 1
Trypanosoma cruzi heat shock protein 85, putative 0.0055 0.1305 0.3912
Toxoplasma gondii heat shock protein HSP90 0.0055 0.1305 0.1153
Trichomonas vaginalis chromobox protein, putative 0.0051 0.1046 0.3568
Trichomonas vaginalis heat shock protein, putative 0.0052 0.1113 0.3796
Trypanosoma brucei heat shock protein, putative 0.0055 0.1305 0.3912
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2933 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.2927 1
Entamoeba histolytica heat shock protein 90, putative 0.0055 0.1305 0.3912
Leishmania major heat shock protein 83-1 0.0055 0.1305 0.3912
Echinococcus granulosus heat shock protein 90 0.0055 0.1305 0.2513
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0084 0.2933 1
Mycobacterium ulcerans lysophospholipase 0.0084 0.2933 1
Schistosoma mansoni chromobox protein 0.0084 0.2927 0.8675
Mycobacterium ulcerans hypothetical protein 0.0084 0.2933 1
Brugia malayi jmjC domain containing protein 0.0115 0.4683 1
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0069 0.0235

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) = 0.372 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) = 1.635 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
IC50 (binding) = 2.75 uM Displacement of [3H]2-OG from human MGL by liquid scintillation counting ChEMBL. 19583260
IC50 (binding) > 500 uM Displacement of [3H]ethanolamine from human recombinant FAAH by liquid scintillation counting ChEMBL. 19583260
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 19.9526 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.9349 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) 35.4813 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.