Detailed information for compound 946958

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 599.985 | Formula: C30H25ClF3N3O5
  • H donors: 2 H acceptors: 4 LogP: 5.94 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)c1c(/C=C/C(=O)N2CCN(CC2)c2cccc(c2)C(F)(F)F)noc1c1cc(Cl)c(cc1O)O
  • InChi: 1S/C30H25ClF3N3O5/c1-41-21-7-5-18(6-8-21)28-24(35-42-29(28)22-16-23(31)26(39)17-25(22)38)9-10-27(40)37-13-11-36(12-14-37)20-4-2-3-19(15-20)30(32,33)34/h2-10,15-17,38-39H,11-14H2,1H3/b10-9+
  • InChiKey: DOFOHLIDQOVGDS-MDZDMXLPSA-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 B member 1 Starlite/ChEMBL References
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class A member 1 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
Toxoplasma gondii heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus granulosus endoplasmin 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
Leishmania braziliensis 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 mexicana developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Brugia malayi kinase, mitochondrial precursor Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma brucei heat shock protein 90, 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
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 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 multilocularis endoplasmin 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 endoplasmin 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
Trypanosoma brucei heat shock protein, putative 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
Leishmania major heat shock protein 83-1 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
Neospora caninum HSP90, related 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
Plasmodium vivax endoplasmin, 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
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase Get druggable targets OG5_127409 All targets in OG5_127409
Giardia lamblia Heat shock protein HSP 90-alpha 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
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 cruzi Heat shock protein 83, 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
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 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 brucei heat shock protein, putative 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 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 Pyruvate dehydrogenase (lipoamide) kinase Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma mansoni 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 braziliensis developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
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 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
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
Leishmania major 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
Trichomonas vaginalis heat shock protein, putative 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
Schistosoma japonicum Heat shock protein HSP 90-alpha, 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
Mycobacterium ulcerans heat shock protein 90 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 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 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
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 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
Giardia lamblia Grp94/Hsp90 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin 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
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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
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
Brugia malayi Endoplasmin precursor 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
Candida albicans heat shock protein 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127409 All targets in OG5_127409
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
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
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
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
Brugia malayi heat shock protein 90 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
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
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 heat shock protein 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 lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, 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
Plasmodium vivax heat shock protein 86, 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 donovani heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein 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 congolense heat shock protein 90, 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
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
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
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase Get druggable targets OG5_127409 All targets in OG5_127409
Trypanosoma brucei gambiense Heat shock protein 83, 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, putative 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
Schistosoma japonicum ko:K00898 pyruvate dehydrogenase kinase [EC2.7.11.2], putative Get druggable targets OG5_127409 All targets in OG5_127409
Plasmodium knowlesi heat shock protein 90, putative 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 braziliensis heat shock protein 83-1 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 heat shock protein 90 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
Leishmania major developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Leishmania infantum 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative pyruvate dehydrogenase kinase, isozyme 1 456 aa 397 aa 22.7 %
Plasmodium falciparum heat shock protein 90, putative heat shock protein 90kDa alpha (cytosolic), class B member 1 724 aa 725 aa 35.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Trypanosoma cruzi heat shock protein 85, putative 0.0063 0.1163 0.2197
Trypanosoma brucei Heat shock protein 83, putative 0.0086 0.2162 0.4123
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Echinococcus granulosus heat shock protein 90 0.0063 0.1163 0.2231
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0023 0.0105
Toxoplasma gondii ABC1 family protein 0.0035 0.0023 0.0105
Giardia lamblia Heat shock protein HSP 90-alpha 0.0086 0.2162 1
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Trichomonas vaginalis heat shock protein, putative 0.0063 0.1163 0.1143
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Echinococcus granulosus heat shock protein 0.0086 0.2162 0.4148
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0063 0.1163 0.2197
Trichomonas vaginalis heat shock protein, putative 0.0086 0.2162 0.2144
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Mycobacterium ulcerans heat shock protein 90 0.0063 0.1163 1
Echinococcus granulosus heat shock protein 90 0.0086 0.2162 0.4148
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Plasmodium falciparum heat shock protein 90 0.0086 0.2162 1
Entamoeba histolytica heat shock protein 90, putative 0.0086 0.2162 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0586 0.0681
Echinococcus multilocularis heat shock protein 90 0.0086 0.2162 0.4148
Onchocerca volvulus 0.0035 0.0023 0.0023
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.4213 0.8083
Echinococcus multilocularis heat shock protein 90 0.0063 0.1163 0.2231
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0022 0.0042
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0026
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0586 0.0681
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.2162 0.4123
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0023 0.0026
Trypanosoma brucei developmentally regulated phosphoprotein 0.016 0.5212 1
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.4213 0.8083
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0074 0.165 0.7634
Toxoplasma gondii heat shock protein HSP90 0.0086 0.2162 1
Onchocerca volvulus 0.0035 0.0023 0.0023
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0063 0.1163 0.1444
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0023 0.0044
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Toxoplasma gondii heat shock protein 90, putative 0.0086 0.2162 1
Plasmodium vivax heat shock protein 86, putative 0.0086 0.2162 1
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Brugia malayi beta-lactamase 0.0035 0.0023 0.0026
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0026
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0023 0.0026
Trichomonas vaginalis set domain proteins, putative 0.0275 1 1
Schistosoma mansoni heat shock protein 0.0086 0.2162 0.4148
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0063 0.1163 1
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0651 0.1211
Brugia malayi hypothetical protein 0.0035 0.0022 0.0025
Trichomonas vaginalis heat shock protein, putative 0.0056 0.0897 0.0877
Trichomonas vaginalis heat shock protein, putative 0.0063 0.1163 0.1143
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Loa Loa (eye worm) hypothetical protein 0.0049 0.0586 0.0681
Entamoeba histolytica heat shock protein 90, putative 0.0086 0.2162 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0022 0.0042
Schistosoma mansoni hypothetical protein 0.0035 0.0022 0.0042
Plasmodium vivax endoplasmin, putative 0.0086 0.2162 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0586 0.0681
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0023 0.0044
Loa Loa (eye worm) heat shock protein 90 0.0086 0.2162 0.2511
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0063 0.1163 0.5
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0063 0.1163 0.2231
Brugia malayi beta-lactamase family protein 0.0035 0.0023 0.0026
Brugia malayi Endoplasmin precursor 0.0086 0.2162 0.2511
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.016 0.5212 1
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.016 0.5212 1
Trypanosoma cruzi Heat shock protein 83, putative 0.0086 0.2162 0.4123
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0023 0.0044
Echinococcus multilocularis endoplasmin 0.0063 0.1163 0.2231
Brugia malayi beta-lactamase family protein 0.0035 0.0023 0.0026
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.2162 0.4123
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Loa Loa (eye worm) hypothetical protein 0.016 0.5212 0.6052
Brugia malayi heat shock protein 90 0.0086 0.2162 0.2511
Trypanosoma cruzi heat shock protein 90, putative 0.0063 0.1163 0.2197
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0026
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Leishmania major developmentally regulated phosphoprotein-like protein 0.016 0.5212 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0225 0.7916 1
Schistosoma mansoni endoplasmin 0.0086 0.2162 0.4148
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Echinococcus granulosus endoplasmin 0.0063 0.1163 0.2231
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.2162 0.4123
Trypanosoma brucei heat shock protein 90, putative 0.0086 0.2162 0.4123
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0023 0.0044
Trichomonas vaginalis endoplasmin, putative 0.0056 0.0897 0.0877
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.8611 1
Trypanosoma cruzi heat shock protein 90, putative 0.0086 0.2162 0.4123
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0022 0.0042
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Trichomonas vaginalis heat shock protein, putative 0.0063 0.1163 0.1143
Treponema pallidum heat shock protein 90 0.0063 0.1163 0.5
Brugia malayi kinase, mitochondrial precursor 0.016 0.5212 0.6052
Echinococcus multilocularis heat shock protein 0.0086 0.2162 0.4148
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Loa Loa (eye worm) endoplasmin 0.0086 0.2162 0.2511
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0651 0.1211
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.016 0.5212 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0023 0.0026
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0026
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.005 0.0651 0.3012
Trypanosoma brucei heat shock protein 90, putative 0.0086 0.2162 0.4123
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Onchocerca volvulus 0.0035 0.0023 0.0023
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0026
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.016 0.5212 1
Schistosoma mansoni endoplasmin 0.0086 0.2162 0.4148
Trypanosoma cruzi heat shock protein 90, putative 0.0054 0.0822 0.154
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0651 0.1211
Trypanosoma brucei heat shock protein, putative 0.0086 0.2162 0.4123
Loa Loa (eye worm) hypothetical protein 0.0035 0.0023 0.0026
Schistosoma mansoni pyruvate dehydrogenase 0.016 0.5212 1
Brugia malayi Pre-SET motif family protein 0.0241 0.8611 1
Schistosoma mansoni heat shock protein 0.0086 0.2162 0.4148
Leishmania major heat shock protein 83-1 0.0086 0.2162 0.4123

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.255 uM Inhibition of geldanamycin-BODIPY binding to full-length HSP90 (unknown origin) by fluorescence polarization based competition assay ChEMBL. 25383915
IC50 (binding) = 2.369 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.

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