Detailed information for compound 946485

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 499.987 | Formula: C26H30ClN3O5
  • H donors: 3 H acceptors: 4 LogP: 5.08 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)c1c(noc1c1cc(Cl)c(cc1O)O)C(=O)NC1CCN(CC1)CC(C)C
  • InChi: 1S/C26H30ClN3O5/c1-15(2)14-30-10-8-17(9-11-30)28-26(33)24-23(16-4-6-18(34-3)7-5-16)25(35-29-24)19-12-20(27)22(32)13-21(19)31/h4-7,12-13,15,17,31-32H,8-11,14H2,1-3H3,(H,28,33)
  • InChiKey: FIDDBBSOQKUFGA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class A member 1 References
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class B member 1 Starlite/ChEMBL References
Homo sapiens pyruvate dehydrogenase kinase, isozyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi heat shock protein 90, 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 infantum heat shock protein 83-1 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
Schistosoma japonicum ko:K00898 pyruvate dehydrogenase kinase [EC2.7.11.2], putative Get druggable targets OG5_127409 All targets in OG5_127409
Loa Loa (eye worm) 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 donovani heat shock protein 83-1 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
Leishmania infantum heat shock protein 83-1 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
Schistosoma mansoni pyruvate dehydrogenase Get druggable targets OG5_127409 All targets in OG5_127409
Theileria parva heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin 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
Treponema pallidum heat shock protein 90 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
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing 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
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma congolense Heat shock protein 83, 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
Trypanosoma brucei gambiense Heat shock protein 83, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis endoplasmin 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
Babesia bovis hsp90 protein 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
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, 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
Schistosoma mansoni endoplasmin 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
Leishmania donovani developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei 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
Leishmania braziliensis heat shock protein 83-1 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
Trypanosoma congolense 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
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
Trichomonas vaginalis 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
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
Leishmania major heat shock protein 83-1 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
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 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 mexicana heat shock protein 83-1 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 major heat shock protein 83-1 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
Schistosoma mansoni endoplasmin 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 infantum developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Echinococcus multilocularis heat shock protein 90 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma cruzi developmentally regulated phosphoprotein, putative Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma congolense developmentally regulated phosphoprotein, putative Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania mexicana 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
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum [Pyruvate dehydrogenase [lipoamide]] kinase, mitochondrial precursor, putative Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania major heat shock protein 83-1 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 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
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
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
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania donovani 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
Mycobacterium ulcerans heat shock protein 90 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
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
Trichomonas vaginalis heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei developmentally regulated phosphoprotein Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum Heat shock protein HSP 90-alpha, putative 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
Trichomonas vaginalis heat shock protein, putative 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
Neospora caninum HSP90-like protein, 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
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
Trypanosoma cruzi Heat shock protein 83, 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
Leishmania infantum 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
Trypanosoma cruzi 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
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
Echinococcus multilocularis heat shock protein 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
Plasmodium yoelii heat shock 90 kDa protein homolog Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium vivax endoplasmin, 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
Echinococcus granulosus heat shock protein heat shock protein 90 alpha Get druggable targets OG5_126623 All targets in OG5_126623
Candida albicans similar to S. pombe SPAC644.11c predicted pyruvate dehydrogenase kinase Get druggable targets OG5_127409 All targets in OG5_127409
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 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
Neospora caninum HSP90, related 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 heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Brugia malayi kinase, mitochondrial precursor Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum 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 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
Plasmodium yoelii putative heat shock protein 81-2 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
Trypanosoma brucei gambiense developmentally regulated phosphoprotein Get druggable targets OG5_127409 All targets in OG5_127409
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania braziliensis developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania mexicana developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Trichomonas vaginalis heat shock protein, 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
Echinococcus multilocularis heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni pyruvate dehydrogenase Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma mansoni pyruvate dehydrogenase Get druggable targets OG5_127409 All targets in OG5_127409
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase Get druggable targets OG5_127409 All targets in OG5_127409
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum heat shock protein 90, putative heat shock protein 90kDa alpha (cytosolic), class B member 1 724 aa 725 aa 35.6 %
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative pyruvate dehydrogenase kinase, isozyme 1 456 aa 397 aa 22.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi heat shock protein 85, putative 0.0063 0.09 0.238
Schistosoma mansoni serine/threonine protein kinase 0.037 1 1
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0074 0.1246 0.774
Trichomonas vaginalis heat shock protein, putative 0.0063 0.09 0.5586
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Brugia malayi kinase, mitochondrial precursor 0.016 0.378 0.378
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.016 0.378 0.378
Trypanosoma cruzi heat shock protein 90, putative 0.0054 0.0657 0.1738
Plasmodium falciparum endoplasmin, putative 0.0056 0.0711 0.4414
Plasmodium vivax endoplasmin, putative 0.0086 0.161 1
Echinococcus granulosus heat shock protein 0.0086 0.161 0.161
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Toxoplasma gondii heat shock protein HSP90 0.0086 0.161 1
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.3069 0.3069
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.037 1 1
Mycobacterium ulcerans heat shock protein 90 0.0063 0.09 0.5
Trichomonas vaginalis heat shock protein, putative 0.0056 0.0711 0.4414
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.3069 0.3069
Loa Loa (eye worm) CAMK/PIM protein kinase 0.037 1 1
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.016 0.378 0.378
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Schistosoma mansoni heat shock protein 0.0086 0.161 0.161
Echinococcus multilocularis heat shock protein 0.0086 0.161 0.161
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0063 0.09 0.5
Trypanosoma cruzi heat shock protein 90, putative 0.0063 0.09 0.238
Loa Loa (eye worm) hypothetical protein 0.016 0.378 0.378
Plasmodium vivax heat shock protein 86, putative 0.0086 0.161 1
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.161 0.426
Brugia malayi Serine/threonine-protein kinase Pim-3 0.037 1 1
Trypanosoma brucei Heat shock protein 83, putative 0.0086 0.161 0.426
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Leishmania major developmentally regulated phosphoprotein-like protein 0.016 0.378 1
Toxoplasma gondii heat shock protein 90, putative 0.0086 0.161 1
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Echinococcus multilocularis endoplasmin 0.0063 0.09 0.09
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Schistosoma mansoni pyruvate dehydrogenase 0.016 0.378 0.378
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.037 1 1
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.016 0.378 1
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Trichomonas vaginalis heat shock protein, putative 0.0063 0.09 0.5586
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Trypanosoma cruzi Heat shock protein 83, putative 0.0086 0.161 0.426
Loa Loa (eye worm) heat shock protein 90 0.0086 0.161 0.161
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.016 0.378 0.378
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.037 1 1
Brugia malayi heat shock protein 90 0.0086 0.161 0.161
Plasmodium falciparum heat shock protein 90 0.0086 0.161 1
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0063 0.09 0.09
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Schistosoma mansoni heat shock protein 0.0086 0.161 0.161
Schistosoma mansoni endoplasmin 0.0086 0.161 0.161
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Trichomonas vaginalis endoplasmin, putative 0.0056 0.0711 0.4414
Treponema pallidum heat shock protein 90 0.0063 0.09 0.5
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0063 0.09 0.238
Schistosoma mansoni endoplasmin 0.0086 0.161 0.161
Loa Loa (eye worm) CAMK/PIM protein kinase 0.037 1 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0063 0.09 0.5
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0536 0.1417
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.161 0.426
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0536 0.1417
Trichomonas vaginalis heat shock protein, putative 0.0086 0.161 1
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Echinococcus granulosus endoplasmin 0.0063 0.09 0.09
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Trypanosoma cruzi heat shock protein 90, putative 0.0086 0.161 0.426
Trichomonas vaginalis heat shock protein, putative 0.0063 0.09 0.5586
Loa Loa (eye worm) endoplasmin 0.0086 0.161 0.161
Echinococcus granulosus heat shock protein 90 0.0086 0.161 0.161
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.161 0.426
Echinococcus multilocularis heat shock protein 90 0.0063 0.09 0.09
Trypanosoma brucei heat shock protein 90, putative 0.0086 0.161 0.426
Entamoeba histolytica heat shock protein 90, putative 0.0086 0.161 1
Entamoeba histolytica heat shock protein 90, putative 0.0086 0.161 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0063 0.09 0.5
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Leishmania major heat shock protein 83-1 0.0086 0.161 0.426
Echinococcus multilocularis heat shock protein 90 0.0086 0.161 0.161
Giardia lamblia Heat shock protein HSP 90-alpha 0.0086 0.161 1
Brugia malayi Endoplasmin precursor 0.0086 0.161 0.161
Trypanosoma brucei heat shock protein, putative 0.0086 0.161 0.426
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0536 0.1417
Trypanosoma brucei heat shock protein 90, putative 0.0086 0.161 0.426
Echinococcus granulosus heat shock protein 90 0.0063 0.09 0.09
Trypanosoma brucei developmentally regulated phosphoprotein 0.016 0.378 1
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.005 0.0536 0.3326

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.023 uM Inhibition of geldanamycin-BODIPY binding to full-length HSP90 (unknown origin) by fluorescence polarization based competition assay ChEMBL. 25383915
IC50 (binding) = 0.068 uM Inhibition of recombinant PDHK1 (unknown origin) expressed in Escherichia coli incubated for 1 hr by ELISA ChEMBL. 25383915
Inhibition (binding) > 50 % Inhibition of recombinant PDHK1 (unknown origin) expressed in Escherichia coli at 10 uM incubated for 1 hr by ELISA ChEMBL. 25383915

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.