Detailed information for compound 946488

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 562.013 | Formula: C30H28ClN3O6
  • H donors: 2 H acceptors: 4 LogP: 5.03 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)c1c(/C=C/C(=O)N2CCN(CC2)c2ccccc2OC)noc1c1cc(Cl)c(cc1O)O
  • InChi: 1S/C30H28ClN3O6/c1-38-20-9-7-19(8-10-20)29-23(32-40-30(29)21-17-22(31)26(36)18-25(21)35)11-12-28(37)34-15-13-33(14-16-34)24-5-3-4-6-27(24)39-2/h3-12,17-18,35-36H,13-16H2,1-2H3/b12-11+
  • InChiKey: RQHOVOFQMVYWSJ-VAWYXSNFSA-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 pyruvate dehydrogenase kinase, isozyme 1 Starlite/ChEMBL References
Homo sapiens heat shock protein 90kDa alpha (cytosolic), class B member 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica 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 cruzi developmentally regulated phosphoprotein, putative Get druggable targets OG5_127409 All targets in OG5_127409
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
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
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
Trypanosoma brucei heat shock protein, putative Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium berghei heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium hominis heat shock protein 83 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, 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
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
Loa Loa (eye worm) 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
Trypanosoma brucei heat shock protein, 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
Trypanosoma brucei gambiense Heat shock protein 83, 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
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
Echinococcus granulosus heat shock protein 90 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 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
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 85, 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
Leishmania major developmentally regulated phosphoprotein-like protein 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
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
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
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
Giardia lamblia Heat shock protein HSP 90-alpha 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
Leishmania major 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
Plasmodium yoelii heat shock 90 kDa protein homolog 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 vivax heat shock protein 86, putative 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
Entamoeba histolytica heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Babesia bovis hsp90 protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania major heat shock protein 83-1 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
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
Brugia malayi heat shock protein 90 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
Candida albicans similar to S. pombe SPAC644.11c predicted pyruvate dehydrogenase kinase 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 brucei gambiense developmentally regulated phosphoprotein 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
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
Trypanosoma cruzi 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 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 mexicana heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing 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
Giardia lamblia Grp94/Hsp90 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127409 All targets in OG5_127409
Schistosoma japonicum ko:K04079 molecular chaperone HtpG, 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
Leishmania braziliensis 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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Echinococcus multilocularis heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Cryptosporidium parvum Hsp90 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
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
Trypanosoma brucei gambiense heat shock protein 83,heat shock protein 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
Brugia malayi Endoplasmin precursor Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma japonicum 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 braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni endoplasmin Get druggable targets OG5_126623 All targets in OG5_126623
Treponema pallidum heat shock protein 90 Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania infantum developmentally regulated phosphoprotein-like protein Get druggable targets OG5_127409 All targets in OG5_127409
Toxoplasma gondii heat shock protein HSP90 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
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 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
Plasmodium vivax endoplasmin, 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
Leishmania donovani 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
Plasmodium yoelii putative heat shock protein 81-2 Get druggable targets OG5_126623 All targets in OG5_126623
Plasmodium knowlesi endoplasmin, putative Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Leishmania braziliensis heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense Heat shock protein 83, putative 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
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
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
Mycobacterium ulcerans heat shock protein 90 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
Candida albicans heat shock protein Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma congolense developmentally regulated phosphoprotein, 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
Schistosoma mansoni endoplasmin 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
Candida albicans heat shock protein 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 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
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 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
Plasmodium yoelii 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
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
Neospora caninum HSP90-like protein, related Get druggable targets OG5_126623 All targets in OG5_126623
Schistosoma mansoni pyruvate dehydrogenase Get druggable targets OG5_127409 All targets in OG5_127409
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
Leishmania major heat shock protein 83-1 Get druggable targets OG5_126623 All targets in OG5_126623
Trypanosoma cruzi heat shock protein 90, putative Get druggable targets OG5_126623 All targets in OG5_126623
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
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
Brugia malayi kinase, mitochondrial precursor 0.016 0.1595 0.1584
Echinococcus multilocularis hyperpolarization activated cyclic 0.0022 0.005 0.0044
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.016 0.1595 0.159
Echinococcus multilocularis endoplasmin 0.0063 0.0506 0.05
Mycobacterium tuberculosis Possible two component system response sensor kinase membrane associated PhoR 0.0024 0.0074 0.124
Schistosoma mansoni heat shock protein 0.0086 0.0775 0.0775
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Echinococcus multilocularis high voltage activated calcium channel beta 0.0168 0.1692 0.1687
Echinococcus multilocularis voltage gated potassium channel 0.0032 0.0163 0.0157
Giardia lamblia Pms1-like protein 0.0024 0.0074 0.0802
Echinococcus multilocularis geminin 0.0167 0.1676 0.1671
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0022 0.005 0.0044
Trypanosoma brucei heat shock protein 90, putative 0.0086 0.0775 0.4815
Leishmania major DNA topoisomerase ii 0.0024 0.0074 0.0386
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0024 0.0074 0.124
Mycobacterium ulcerans putative regultory protein 0.0024 0.0074 0.124
Echinococcus granulosus jumonji domain containing protein 0.004 0.0253 0.0248
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0032 0.0166 0.2007
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Trichomonas vaginalis heat shock protein, putative 0.0056 0.0435 0.1751
Trichomonas vaginalis sensory transduction histidine kinase, putative 0.0024 0.0074 0.0254
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0195 0.0195
Giardia lamblia Grp94/Hsp90 0.0063 0.0506 0.6472
Trypanosoma cruzi Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0024 0.0074 0.0386
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.005 0.005
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Echinococcus multilocularis heat shock protein 90 0.0063 0.0506 0.05
Echinococcus granulosus heat shock protein 90 0.0063 0.0506 0.05
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.091 1 1
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0024 0.0074 0.5
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0024 0.0074 0.0061
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0022 0.005 0.0044
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0127 0.0121
Wolbachia endosymbiont of Brugia malayi membrane associated signal transduction histidine kinase 0.0024 0.0074 0.124
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0135 0.0129
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0024 0.0074 0.0386
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0195 0.0189
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0063 0.0506 0.3116
Trypanosoma cruzi heat shock protein 90, putative 0.0063 0.0506 0.3116
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.0775 0.4815
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0127 0.15
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0135 0.0129
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.0347 0.3692 0.3684
Toxoplasma gondii pyruvate dehydrogenase kinase, putative 0.005 0.0368 0.4666
Echinococcus multilocularis heat shock protein 90 0.0086 0.0775 0.0769
Loa Loa (eye worm) hypothetical protein 0.0022 0.005 0.0037
Trichomonas vaginalis receptor histidine kinase, putative 0.0024 0.0074 0.0254
Mycobacterium ulcerans two component sensor histidine kinase TrcS 0.0024 0.0074 0.124
Leishmania major developmentally regulated phosphoprotein-like protein 0.016 0.1595 1
Trypanosoma brucei pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0368 0.2246
Giardia lamblia Heat shock protein HSP 90-alpha 0.0086 0.0775 1
Echinococcus granulosus endoplasmin 0.0063 0.0506 0.05
Trypanosoma cruzi DNA topoisomerase II, putative 0.0024 0.0074 0.0386
Plasmodium vivax SET domain protein, putative 0.0029 0.0135 0.1601
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0799 0.8756 0.8756
Brugia malayi Hsp90 protein 0.0032 0.0166 0.0153
Trichomonas vaginalis heat shock protein, putative 0.0063 0.0506 0.2047
Trichomonas vaginalis set domain proteins, putative 0.0233 0.242 1
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0063 0.0506 1
Loa Loa (eye worm) heat shock protein 90 0.0086 0.0775 0.0763
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Echinococcus granulosus peregrin 0.0029 0.0127 0.0121
Trypanosoma cruzi heat shock protein 90, putative 0.0054 0.0414 0.2536
Brugia malayi Pre-SET motif family protein 0.0205 0.2103 0.2092
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0024 0.0074 0.124
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.0775 0.4815
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.011 0.1039 0.1027
Mycobacterium ulcerans heat shock protein 90 0.0063 0.0506 1
Echinococcus granulosus heat shock protein 90 0.0086 0.0775 0.0769
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Trypanosoma cruzi pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0368 0.2246
Brugia malayi Cyclic-nucleotide gated cation channel 0.0022 0.005 0.0037
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Plasmodium falciparum DNA gyrase subunit B 0.0024 0.0074 0.0802
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0022 0.005 0.0044
Toxoplasma gondii heat shock protein HSP90 0.0086 0.0775 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0024 0.0074 0.0068
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0022 0.005 0.0044
Schistosoma mansoni hypothetical protein 0.0029 0.0127 0.0127
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Schistosoma mansoni hypothetical protein 0.0167 0.1676 0.1676
Schistosoma mansoni voltage-gated potassium channel 0.0022 0.005 0.005
Trypanosoma brucei developmentally regulated phosphoprotein 0.016 0.1595 1
Brugia malayi heat shock protein 90 0.0086 0.0775 0.0763
Toxoplasma gondii DNA topoisomerase 2, putative 0.0024 0.0074 0.0802
Echinococcus granulosus hyperpolarization activated cyclic 0.0022 0.005 0.0044
Brugia malayi Endoplasmin precursor 0.0086 0.0775 0.0763
Brugia malayi Pre-SET motif family protein 0.0029 0.0135 0.0122
Brugia malayi Serine/threonine-protein kinase Pim-3 0.091 1 1
Trichomonas vaginalis heat shock protein, putative 0.0063 0.0506 0.2047
Mycobacterium tuberculosis Two component sensory transduction histidine kinase MtrB 0.0024 0.0074 0.124
Giardia lamblia PHD finger protein 15 0.0029 0.0127 0.15
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0103 0.0958 0.3926
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.047 0.0457
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0032 0.0163 0.0157
Schistosoma mansoni hypothetical protein 0.0167 0.1676 0.1676
Plasmodium falciparum heat shock protein 90, putative 0.0032 0.0166 0.2007
Mycobacterium ulcerans two component sensory transduction histidine kinase MtrB 0.0024 0.0074 0.124
Schistosoma mansoni ap endonuclease 0.0019 0.0013 0.0013
Trypanosoma brucei DNA topoisomerase ii 0.0024 0.0074 0.0386
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0022 0.005 0.0044
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0032 0.0166 0.016
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0013 0.0007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0135
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0061
Mycobacterium ulcerans two component system membrane associated sensor kinase 0.0024 0.0074 0.124
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0643 0.0643
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0032 0.0163 0.015
Mycobacterium tuberculosis Two component sensor kinase MprB 0.0024 0.0074 0.124
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0024 0.0074 0.0802
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.1326 0.1326
Trypanosoma brucei Heat shock protein 83, putative 0.0086 0.0775 0.4815
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.005 0.005
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.016 0.1595 0.159
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0024 0.0074 0.0802
Leishmania major mitochondrial DNA topoisomerase II 0.0024 0.0074 0.0386
Mycobacterium ulcerans two component sensor histidine kinase SenX3 0.0024 0.0074 0.124
Trichomonas vaginalis heat shock protein, putative 0.0063 0.0506 0.2047
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0859 0.0854
Loa Loa (eye worm) endoplasmin 0.0086 0.0775 0.0763
Mycobacterium tuberculosis Two component sensor histidine kinase TrcS 0.0024 0.0074 0.124
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0024 0.0074 0.124
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.011 0.1039 0.1027
Trichomonas vaginalis receptor histidine kinase, putative 0.0024 0.0074 0.0254
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0127 0.0121
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0024 0.0074 0.0068
Mycobacterium tuberculosis Conserved protein 0.0024 0.0074 0.124
Mycobacterium tuberculosis Possible two component sensor kinase TcrY 0.0024 0.0074 0.124
Trypanosoma brucei heat shock protein 90, putative 0.0086 0.0775 0.4815
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0024 0.0074 0.0068
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0024 0.0074 0.124
Echinococcus granulosus heat shock protein 0.0086 0.0775 0.0769
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0195 0.0189
Plasmodium falciparum endoplasmin, putative 0.0056 0.0435 0.5535
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0063 0.0506 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0024 0.0074 0.0061
Schistosoma mansoni heat shock protein 0.0086 0.0775 0.0775
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0024 0.0074 0.0254
Schistosoma mansoni heat shock protein 0.0032 0.0166 0.0166
Trichomonas vaginalis heat shock protein, putative 0.0032 0.0166 0.0635
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0195 0.0182
Treponema pallidum heat shock protein 90 0.0063 0.0506 1
Mycobacterium ulcerans sensor kinase from two component regulatory system 0.0024 0.0074 0.124
Trichomonas vaginalis endoplasmin, putative 0.0056 0.0435 0.1751
Trypanosoma brucei heat shock protein 84, putative 0.0032 0.0166 0.0966
Schistosoma mansoni ap endonuclease 0.0019 0.0013 0.0013
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Trypanosoma brucei Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative 0.0024 0.0074 0.0386
Plasmodium falciparum phd finger protein, putative 0.0029 0.0127 0.15
Loa Loa (eye worm) hypothetical protein 0.0024 0.0074 0.0061
Toxoplasma gondii heat shock protein 90, putative 0.0086 0.0775 1
Brugia malayi jmjC domain containing protein 0.0094 0.0859 0.0848
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.091 1 1
Mycobacterium tuberculosis Probable two component sensor kinase 0.0024 0.0074 0.124
Mycobacterium ulcerans two component sensor histidine kinase PrrB 0.0024 0.0074 0.124
Trichomonas vaginalis heat shock protein, putative 0.0086 0.0775 0.3164
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.091 1 1
Echinococcus granulosus voltage gated potassium channel 0.0032 0.0163 0.0157
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0022 0.005 0.0037
Trypanosoma cruzi Heat shock protein 83, putative 0.0086 0.0775 0.4815
Plasmodium falciparum heat shock protein 90, putative 0.0032 0.0166 0.2007
Trypanosoma cruzi developmentally regulated phosphoprotein, putative 0.016 0.1595 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0022 0.005 0.005
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0024 0.0074 0.0386
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0022 0.005 0.0152
Onchocerca volvulus Alhambra homolog 0.0029 0.0127 0.0121
Treponema pallidum chemotaxis histidine kinase (cheA) 0.0024 0.0074 0.124
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0063 0.0506 1
Trypanosoma cruzi heat shock protein 90, putative 0.0086 0.0775 0.4815
Leishmania major heat shock protein, putative 0.0032 0.0166 0.0966
Leishmania major pyruvate dehydrogenase (lipoamide) kinase, putative 0.005 0.0368 0.2246
Chlamydia trachomatis DNA gyrase subunit B 0.0024 0.0074 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0022 0.005 0.005
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0022 0.005 0.0044
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0195 0.0195
Schistosoma mansoni DNA topoisomerase II 0.0024 0.0074 0.0074
Loa Loa (eye worm) TOPoisomerase family member 0.0024 0.0074 0.0061
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0168 0.1692 0.1692
Onchocerca volvulus 0.0029 0.0135 0.0129
Trypanosoma cruzi heat shock protein, putative 0.0032 0.0166 0.0966
Trypanosoma cruzi DNA topoisomerase II, putative 0.0024 0.0074 0.0386
Onchocerca volvulus 0.0233 0.242 0.2416
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0127 0.15
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0022 0.005 0.0152
Mycobacterium ulcerans two component sensor kinase MprB 0.0024 0.0074 0.124
Chlamydia trachomatis DNA gyrase subunit B 0.0024 0.0074 0.5
Schistosoma mansoni voltage-gated potassium channel 0.012 0.1153 0.1153
Schistosoma mansoni pyruvate dehydrogenase 0.016 0.1595 0.1595
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0024 0.0074 0.124
Trypanosoma cruzi heat shock protein 85, putative 0.0086 0.0775 0.4815
Trichomonas vaginalis sensor histidine kinase, putative 0.0024 0.0074 0.0254
Plasmodium falciparum DNA topoisomerase VI, b subunit, putative 0.0024 0.0074 0.0802
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0135 0.0129
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0135
Schistosoma mansoni MAGUK homolog 0.0018 0.0006 0.0006
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0859 0.0854
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.0163 0.0163
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0024 0.0074 0.0068
Schistosoma mansoni endoplasmin 0.0086 0.0775 0.0775
Brugia malayi Probable DNA topoisomerase II 0.0024 0.0074 0.0061
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0022 0.005 0.0044
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0022 0.005 0.0037
Mycobacterium tuberculosis Probable sensor protein KdpD 0.0024 0.0074 0.124
Entamoeba histolytica heat shock protein 90, putative 0.0086 0.0775 1
Schistosoma mansoni serine/threonine protein kinase 0.091 1 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0032 0.0166 0.2007
Echinococcus granulosus hyperpolarization activated cyclic 0.0022 0.005 0.0044
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0032 0.0166 0.016
Brugia malayi PHD-finger family protein 0.0029 0.0127 0.0114
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.0163 0.0163
Entamoeba histolytica heat shock protein 90, putative 0.0086 0.0775 1
Plasmodium falciparum DNA topoisomerase 2 0.0024 0.0074 0.0802
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0127 0.15
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.011 0.1039 0.1034
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0074 0.0637 0.8194
Trichomonas vaginalis sensory transduction histidine kinase bacterial, putative 0.0024 0.0074 0.0254
Loa Loa (eye worm) hypothetical protein 0.016 0.1595 0.1584
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Trichomonas vaginalis DNA topoisomerase II, putative 0.0024 0.0074 0.0254
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Leishmania major hypothetical protein, conserved 0.0024 0.0074 0.0386
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Echinococcus granulosus high voltage activated calcium channel beta 0.0168 0.1692 0.1687
Plasmodium vivax DNA gyrase subunit B, putative 0.0024 0.0074 0.0802
Mycobacterium ulcerans DNA gyrase subunit B 0.0024 0.0074 0.124
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0022 0.005 0.005
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0135 0.0135
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Mycobacterium tuberculosis Possible two component sensor kinase 0.0024 0.0074 0.124
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0253 0.0248
Loa Loa (eye worm) hypothetical protein 0.0096 0.0876 0.0864
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0013 0.0007
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0205 0.2103 0.2092
Mycobacterium tuberculosis Two component sensor histidine kinase PrrB 0.0024 0.0074 0.124
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0024 0.0074 0.0068
Plasmodium vivax hypothetical protein, conserved 0.0024 0.0074 0.0802
Schistosoma mansoni endoplasmin 0.0086 0.0775 0.0775
Plasmodium vivax DNA topoisomerase II, putative 0.0024 0.0074 0.0802
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0135 0.1601
Trichomonas vaginalis two component sensor and regulator histidine kinase bacteria, putative 0.0024 0.0074 0.0254
Loa Loa (eye worm) heat shock protein 75 0.0032 0.0166 0.0153
Trypanosoma cruzi heat shock protein 85, putative 0.0063 0.0506 0.3116
Wolbachia endosymbiont of Brugia malayi signal transduction histidine kinase and receiver 0.0024 0.0074 0.124
Echinococcus multilocularis peregrin 0.0029 0.0127 0.0121
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Giardia lamblia Heat shock protein HSP 90-alpha 0.0063 0.0506 0.6472
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0127 0.0127
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0063 0.0506 0.05
Brugia malayi jmjC domain containing protein 0.0035 0.0195 0.0182
Loa Loa (eye worm) hypothetical protein 0.0029 0.0135 0.0122
Schistosoma mansoni voltage-gated potassium channel 0.012 0.1153 0.1153
Plasmodium vivax endoplasmin, putative 0.0086 0.0775 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0127 0.0114
Mycobacterium ulcerans two component regulator - sensor kinase 0.0024 0.0074 0.124
Entamoeba histolytica DNA topoisomerase II, putative 0.0024 0.0074 0.0802
Plasmodium vivax heat shock protein 86, putative 0.0086 0.0775 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0127 0.0114
Plasmodium falciparum heat shock protein 90 0.0086 0.0775 1
Echinococcus multilocularis heat shock protein 0.0086 0.0775 0.0769
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0032 0.0163 0.0157
Brugia malayi Bromodomain containing protein 0.0029 0.0127 0.0114
Loa Loa (eye worm) CAMK/PIM protein kinase 0.091 1 1
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0347 0.3692 0.3684
Plasmodium vivax heat shock protein, putative 0.0032 0.0166 0.2007
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0123 0.0117
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0024 0.0074 0.0386
Schistosoma mansoni pyruvate dehydrogenase 0.0136 0.1326 0.1326
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0024 0.0074 0.124
Loa Loa (eye worm) hypothetical protein 0.0049 0.0357 0.0345
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Loa Loa (eye worm) hypothetical protein 0.0032 0.0163 0.015
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Leishmania major heat shock protein 83-1 0.0086 0.0775 0.4815
Mycobacterium ulcerans two component system response phosphate sensor kinase, PhoR 0.0024 0.0074 0.124
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.016 0.1595 0.159
Echinococcus granulosus geminin 0.0167 0.1676 0.1671
Trypanosoma brucei heat shock protein, putative 0.0086 0.0775 0.4815
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0032 0.0166 0.016
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0103 0.0958 0.3926
Mycobacterium tuberculosis Two component sensor kinase [second part] 0.0024 0.0074 0.124
Plasmodium vivax heat shock protein 90, putative 0.0032 0.0166 0.2007
Echinococcus multilocularis hyperpolarization activated cyclic 0.0022 0.005 0.0044
Trichomonas vaginalis mismatch repair protein Mlh1C (mutL homolog) 0.0024 0.0074 0.0254
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0024 0.0074 0.0386
Toxoplasma gondii heat shock protein 75, putative 0.0032 0.0166 0.2007
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0135 0.0135
Loa Loa (eye worm) CAMK/PIM protein kinase 0.091 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.011 0.1039 0.1034

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.596 uM Inhibition of geldanamycin-BODIPY binding to full-length HSP90 (unknown origin) by fluorescence polarization based competition assay ChEMBL. 25383915
IC50 (binding) = 0.845 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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