TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 514.958 | Formula: C25H27ClN4O6
H donors: 4 H acceptors: 5 LogP: 3.4 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: CCNC(=O)N1CCC(CC1)NC(=O)c1noc(c1c1ccc(cc1)OC)c1cc(Cl)c(cc1O)O
InChi: 1S/C25H27ClN4O6/c1-3-27-25(34)30-10-8-15(9-11-30)28-24(33)22-21(14-4-6-16(35-2)7-5-14)23(36-29-22)17-12-18(26)20(32)13-19(17)31/h4-7,12-13,15,31-32H,3,8-11H2,1-2H3,(H,27,34)(H,28,33)
InChiKey: IXYGIIBGSMZJMY-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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	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
Leishmania infantum	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
Plasmodium yoelii	putative heat shock protein 81-2	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 donovani	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
Schistosoma japonicum	IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania 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 congolense	developmentally regulated phosphoprotein, putative	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
Plasmodium vivax	heat shock protein 86, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	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
Schistosoma japonicum	ko:K09487 heat shock protein 90kDa beta, 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
Candida albicans	heat shock protein	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
Leishmania braziliensis	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
Toxoplasma gondii	heat shock protein HSP90	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium vivax	endoplasmin, 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
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
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
Loa Loa (eye worm)	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
Brugia malayi	Endoplasmin precursor	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 multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	Get druggable targets OG5_127409	All targets in OG5_127409
Schistosoma japonicum	ko:K00898 pyruvate dehydrogenase kinase [EC2.7.11.2], putative	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 83, putative	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 infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Neospora caninum	HSP90, related	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	endoplasmin, 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
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Entamoeba histolytica	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania 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 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
Leishmania major	heat shock protein 83-1	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
Treponema pallidum	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
Echinococcus multilocularis	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	pyruvate dehydrogenase	Get druggable targets OG5_127409	All targets in OG5_127409
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
Echinococcus multilocularis	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
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
Schistosoma mansoni	heat shock protein	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
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
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
Babesia bovis	hsp90 protein	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
Trypanosoma congolense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	heat shock protein 83,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
Trypanosoma cruzi	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 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
Trypanosoma brucei	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
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	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
Loa Loa (eye worm)	hypothetical protein	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
Plasmodium berghei	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
Schistosoma japonicum	ko:K04079 molecular chaperone HtpG, 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
Giardia lamblia	Grp94/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
Leishmania donovani	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	endoplasmin	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	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
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
Mycobacterium ulcerans	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
Trypanosoma cruzi	heat shock protein 85, 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
Leishmania infantum	heat shock protein 83-1	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
Leishmania donovani	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
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
Plasmodium yoelii	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 cruzi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein HSP 90-beta, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania mexicana	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	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 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
Trypanosoma congolense	heat shock protein 90, putative	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
Schistosoma mansoni	endoplasmin	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
Entamoeba histolytica	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	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
Echinococcus granulosus	heat shock protein 90	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
Plasmodium falciparum	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
Schistosoma japonicum	[Pyruvate dehydrogenase [lipoamide]] kinase, mitochondrial precursor, putative	Get druggable targets OG5_127409	All targets in OG5_127409
Leishmania major	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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus	Protein ultraspiracle homolog	0.0115	0.6915	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0115	0.6915	0.6443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0115	0.6915	0.6443
Brugia malayi	conserved hypotetical protein	0.0054	0.1891	0.065
Brugia malayi	nuclear receptor RXR	0.0054	0.1891	0.065
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0054	0.1891	0.065
Brugia malayi	nuclear hormone receptor family member odr-7	0.0054	0.1891	0.065
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Entamoeba histolytica	heat shock protein 90, putative	0.0047	0.1327	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.0054	0.1891	0.1891
Trypanosoma cruzi	heat shock protein 85, putative	0.0047	0.1327	0.1327
Schistosoma mansoni	retinoic acid receptor RXR	0.0115	0.6915	0.6443
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0115	0.6915	0.6443
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0061	0.2429	0.2429
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0115	0.6915	0.6443
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0115	0.6915	0.6915
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0115	0.6915	0.6443
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Brugia malayi	nuclear hormone receptor	0.0054	0.1891	0.065
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0152	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0054	0.1891	0.065
Loa Loa (eye worm)	DR-78	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Onchocerca volvulus		0.0115	0.6915	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0054	0.1891	0.1891
Schistosoma mansoni	nuclear receptor	0.0054	0.1891	0.065
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Mycobacterium ulcerans	heat shock protein 90	0.0031	0	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0115	0.6915	0.6915
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0054	0.1891	0.1891
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0115	0.6915	0.6915
Brugia malayi	Steroid receptor seven-up type 2	0.0115	0.6915	0.6443
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Schistosoma mansoni	thyroid hormone receptor	0.0115	0.6915	0.6443
Treponema pallidum	heat shock protein 90	0.0031	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0054	0.1891	0.1891
Plasmodium vivax	endoplasmin, putative	0.0047	0.1327	0.5
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0031	0	0.5
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0061	0.2429	0.127
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0054	0.1891	0.1891
Loa Loa (eye worm)	hypothetical protein	0.0061	0.2429	0.127
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0031	0	0.5
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0054	0.1891	0.065
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0115	0.6915	0.6443
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0152	1	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.2429	0.127
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0115	0.6915	0.6443
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.005	0.1576	0.1577
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0115	0.6915	0.6915
Trichomonas vaginalis	heat shock protein, putative	0.0032	0.0068	0.0509
Onchocerca volvulus	Bile acid receptor homolog	0.0115	0.6915	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0115	0.6915	0.6443
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0115	0.6915	0.6443
Schistosoma mansoni	thyroid hormone receptor	0.0115	0.6915	0.6443
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Schistosoma mansoni	nuclear hormone receptor	0.0115	0.6915	0.6443
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0115	0.6915	0.6443
Trypanosoma cruzi	Heat shock protein 83, putative	0.0047	0.1327	0.1327
Echinococcus granulosus	heat shock protein 90	0.0047	0.1327	0.1327
Trichomonas vaginalis	heat shock protein, putative	0.0047	0.1327	1
Loa Loa (eye worm)	hypothetical protein	0.0152	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0054	0.1891	0.065
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0115	0.6915	0.6443
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0061	0.2429	0.127
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Trypanosoma cruzi	heat shock protein 85, putative	0.0047	0.1327	0.1327
Trypanosoma cruzi	heat shock protein 85, putative	0.0047	0.1327	0.1327
Plasmodium vivax	heat shock protein 86, putative	0.0047	0.1327	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0115	0.6915	0.6443
Trichomonas vaginalis	endoplasmin, putative	0.0032	0.0068	0.0509
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0115	0.6915	0.6915
Schistosoma mansoni	RAR-like nuclear receptor	0.0115	0.6915	0.6443
Brugia malayi	nuclear receptor NHR-67	0.0054	0.1891	0.065
Echinococcus granulosus	nuclear receptor nhr 48	0.0054	0.1891	0.1891
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Brugia malayi	Nuclear hormone receptor E75	0.0054	0.1891	0.065
Schistosoma mansoni	zinc finger protein	0.0054	0.1891	0.065
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0115	0.6915	0.6443
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0066	0.2903	1
Brugia malayi	ecdysteroid receptor	0.0115	0.6915	0.6443
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0115	0.6915	0.6443
Brugia malayi	tailless protein	0.0054	0.1891	0.065
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0115	0.6915	0.6443
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0115	0.6915	0.6915
Echinococcus multilocularis	heat shock protein	0.0047	0.1327	0.1327
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0115	0.6915	0.6443
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0152	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0115	0.6915	0.6915
Echinococcus granulosus	FTZ F1 alpha	0.0115	0.6915	0.6915
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0054	0.1891	0.1891
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0031	0	0.5
Brugia malayi	orphan nuclear receptor NR2E1	0.0054	0.1891	0.065
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0152	1	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.2429	0.127
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0115	0.6915	0.6443
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0054	0.1891	0.1891
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.1576	0.1576
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0115	0.6915	0.6915
Schistosoma mansoni	pyruvate dehydrogenase	0.0152	1	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0136	0.8673	0.8469
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0061	0.2429	0.2429
Brugia malayi	nuclear receptor RXR	0.0061	0.2429	0.127
Brugia malayi	Nuclear hormone receptor-like 1	0.0115	0.6915	0.6443
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0115	0.6915	0.6915
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0061	0.2429	0.127
Brugia malayi	photoreceptor-specific nuclear receptor	0.0115	0.6915	0.6443
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0115	0.6915	0.6915
Brugia malayi	nuclear receptor NHR-88	0.0115	0.6915	0.6443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0115	0.6915	0.6443
Echinococcus granulosus	heat shock protein	0.0047	0.1327	0.1327
Loa Loa (eye worm)	steroid hormone receptor	0.0115	0.6915	0.6443
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.1576	0.0287
Brugia malayi	Nuclear hormone receptor-like 1	0.0061	0.2429	0.127
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0054	0.1891	0.065
Loa Loa (eye worm)	hypothetical protein	0.0061	0.2429	0.127
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0115	0.6915	0.6443
Echinococcus multilocularis	ecdysone induced protein 78C	0.0115	0.6915	0.6915
Brugia malayi	nuclear receptor NHR-88	0.0054	0.1891	0.065
Echinococcus granulosus	thyroid hormone receptor alpha	0.0054	0.1891	0.1891
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0115	0.6915	0.6443
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0047	0.1327	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0061	0.2429	0.127
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Brugia malayi	hypothetical protein	0.0054	0.1891	0.065
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0054	0.1891	0.065
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Brugia malayi	steroid hormone receptor	0.0115	0.6915	0.6443
Brugia malayi	ecdysone receptor	0.0054	0.1891	0.065
Entamoeba histolytica	heat shock protein 90, putative	0.0047	0.1327	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0054	0.1891	0.065
Loa Loa (eye worm)	hypothetical protein	0.0061	0.2429	0.127
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0115	0.6915	0.6443
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0115	0.6915	0.6915
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0115	0.6915	0.6915
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Schistosoma mansoni	nuclear hormone receptor	0.0054	0.1891	0.065
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0115	0.6915	0.6443
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0054	0.1891	0.1891
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0115	0.6915	0.6915
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0054	0.1891	0.1891
Trypanosoma cruzi	heat shock protein 90, putative	0.0047	0.1327	0.1327
Brugia malayi	hypothetical protein	0.0054	0.1891	0.065
Brugia malayi	hypothetical protein	0.0061	0.2429	0.127
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0115	0.6915	1
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0115	0.6915	0.6443
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0152	1	1
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0152	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0115	0.6915	0.6915
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Plasmodium falciparum	heat shock protein 90	0.0047	0.1327	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0136	0.8673	0.8469
Brugia malayi	nuclear hormone receptor	0.0115	0.6915	0.6443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0115	0.6915	0.6443
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0115	0.6915	0.6443
Schistosoma mansoni	nuclear receptor	0.0054	0.1891	0.065
Schistosoma mansoni	coup transcription factor	0.0115	0.6915	0.6443
Leishmania major	heat shock protein 83-1	0.0047	0.1327	0.1327
Loa Loa (eye worm)	nuclear hormone receptor	0.0054	0.1891	0.065
Brugia malayi	hypothetical protein	0.0061	0.2429	0.127
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0115	0.6915	0.6443
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0054	0.1891	0.1891
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1891	0.065
Echinococcus multilocularis	FTZ F1 alpha	0.0115	0.6915	0.6915
Loa Loa (eye worm)	hypothetical protein	0.0115	0.6915	0.6443
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.005	0.1576	0.1576
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0115	0.6915	0.6915
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0115	0.6915	0.6443
Echinococcus multilocularis	heat shock protein 90	0.0047	0.1327	0.1327

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.02 uM	Inhibition of geldanamycin-BODIPY binding to full-length HSP90 (unknown origin) by fluorescence polarization based competition assay	ChEMBL.	25383915
IC50 (binding)	= 0.15 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

ChEMBL: CHEMBL3354651

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 946481