TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.558 | Formula: C29H29N3O5
H donors: 3 H acceptors: 4 LogP: 4.01 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCNC(=O)c1noc(c1c1ccc(cc1)CN1CCOCC1)c1cc(c2ccccc2)c(cc1O)O
InChi: 1S/C29H29N3O5/c1-2-30-29(35)27-26(21-10-8-19(9-11-21)18-32-12-14-36-15-13-32)28(37-31-27)23-16-22(24(33)17-25(23)34)20-6-4-3-5-7-20/h3-11,16-17,33-34H,2,12-15,18H2,1H3,(H,30,35)
InChiKey: IFYJCWYDVYZPLI-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	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
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
Trypanosoma brucei	Heat shock protein 83, putative	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
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein	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
Mycobacterium ulcerans	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 vivax	heat shock protein 86, 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
Loa Loa (eye worm)	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma congolense	Heat shock protein 83, 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
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 braziliensis	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
Trypanosoma brucei gambiense	heat shock protein 83,heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	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
Trypanosoma brucei	heat shock protein, 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 cruzi	heat shock protein 85, 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
Leishmania major	heat shock protein 83-1	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 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
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Candida albicans	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
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
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 cruzi	Heat shock protein 83, 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
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
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
Trypanosoma brucei	heat shock protein, 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
Neospora caninum	HSP90-like protein, related	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
Entamoeba histolytica	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium falciparum	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, 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
Trypanosoma congolense	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	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
Leishmania mexicana	heat shock protein 83-1	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 major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Mycobacterium 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
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	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
Plasmodium vivax	endoplasmin, 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 knowlesi	endoplasmin, putative	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
Trichomonas vaginalis	heat shock protein, 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	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
Babesia bovis	hsp90 protein	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
Loa Loa (eye worm)	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein HSP 90-beta, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K04079 molecular chaperone HtpG, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	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
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
Plasmodium yoelii	putative heat shock protein 81-2	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	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Brugia malayi	Endoplasmin precursor	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 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
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
Giardia lamblia	Grp94/Hsp90	Get druggable targets OG5_126623	All targets in OG5_126623
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
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
Schistosoma mansoni	endoplasmin	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 parvum	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
Echinococcus granulosus	heat shock protein heat shock protein 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
Schistosoma japonicum	ko:K09487 heat shock protein 90kDa beta, 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
Candida albicans	hypothetical protein	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 congolense	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 brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	beta-tubulin, putative	0.0048	1	1
Echinococcus multilocularis	tubulin subunit beta	0.0048	1	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0031	0.4519	0.5
Echinococcus granulosus	endoplasmin	0.0031	0.4519	0.4519
Schistosoma mansoni	tubulin subunit beta	0.0048	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.4519	0.3014
Echinococcus multilocularis	tubulin beta 1 chain	0.0048	1	1
Onchocerca volvulus		0.0018	0	0.5
Loa Loa (eye worm)	tubulin beta-1 chain	0.0048	1	1
Loa Loa (eye worm)	beta-tubulin	0.0048	1	1
Echinococcus multilocularis	heat shock protein	0.0039	0.7152	0.7152
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Echinococcus multilocularis	beta tubulin	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.7152	0.6503
Trypanosoma cruzi	heat shock protein 85, putative	0.0031	0.4519	0.3271
Leishmania major	beta tubulin	0.0048	1	1
Echinococcus multilocularis	heat shock protein 90	0.0031	0.4519	0.4519
Schistosoma mansoni	heat shock protein	0.0039	0.7152	0.7152
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Treponema pallidum	heat shock protein 90	0.0031	0.4519	0.5
Plasmodium vivax	tubulin beta chain, putative	0.0048	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0031	0.4519	0.4519
Leishmania major	beta tubulin	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Onchocerca volvulus		0.0018	0	0.5
Echinococcus granulosus	heat shock protein 90	0.0039	0.7152	0.7152
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Schistosoma mansoni	tubulin subunit beta	0.0048	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0048	1	1
Toxoplasma gondii	beta-1 tubulin, putative	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	1	1
Echinococcus multilocularis	beta tubulin	0.0048	1	1
Giardia lamblia	Beta tubulin	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0039	0.7152	0.6503
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0018	0	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.7152	0.6369
Echinococcus multilocularis	heat shock protein 90	0.0039	0.7152	0.7152
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0031	0.4519	0.5
Trichomonas vaginalis	tubulin, putative	0.0048	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	1	1
Trypanosoma brucei	beta tubulin	0.0048	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0031	0.4519	0.3271
Loa Loa (eye worm)	BEN-1 protein	0.0048	1	1
Giardia lamblia	Beta tubulin	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Entamoeba histolytica	tubulin family protein	0.0048	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Onchocerca volvulus		0.0018	0	0.5
Onchocerca volvulus		0.0018	0	0.5
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Loa Loa (eye worm)	tubulin beta-4 chain	0.0048	1	1
Onchocerca volvulus		0.0018	0	0.5
Toxoplasma gondii	beta tubulin	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Onchocerca volvulus		0.0018	0	0.5
Onchocerca volvulus		0.0018	0	0.5
Schistosoma mansoni	endoplasmin	0.0039	0.7152	0.7152
Leishmania major	beta tubulin	0.0048	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Trypanosoma brucei	beta tubulin	0.0048	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Onchocerca volvulus		0.0018	0	0.5
Onchocerca volvulus		0.0018	0	0.5
Onchocerca volvulus		0.0018	0	0.5
Echinococcus granulosus	heat shock protein 90	0.0031	0.4519	0.4519
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	1	1
Trypanosoma brucei	beta tubulin	0.0048	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Onchocerca volvulus		0.0018	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	1	1
Onchocerca volvulus		0.0018	0	0.5
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Echinococcus granulosus	beta tubulin	0.0048	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	1	1
Loa Loa (eye worm)	endoplasmin	0.0039	0.7152	0.7152
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.7152	0.6503
Onchocerca volvulus		0.0018	0	0.5
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0048	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0048	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.7152	0.6503
Plasmodium falciparum	tubulin beta chain	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Onchocerca volvulus		0.0018	0	0.5
Echinococcus multilocularis	endoplasmin	0.0031	0.4519	0.4519
Trypanosoma brucei	beta tubulin	0.0048	1	1
Giardia lamblia	Beta tubulin	0.0048	1	1
Brugia malayi	beta-tubulin, identical	0.0048	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0048	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Trichomonas vaginalis	tubulin alpha chain, putative	0.0048	1	1
Echinococcus granulosus	heat shock protein	0.0039	0.7152	0.7152
Onchocerca volvulus		0.0018	0	0.5
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0031	0.4519	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	1	1
Schistosoma mansoni	tubulin subunit beta	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Mycobacterium ulcerans	heat shock protein 90	0.0031	0.4519	0.5
Echinococcus granulosus	tubulin beta 1 chain	0.0048	1	1
Echinococcus granulosus	beta tubulin	0.0048	1	1
Entamoeba histolytica	tubulin family protein	0.0048	1	1
Plasmodium falciparum	heat shock protein 90	0.0039	0.7152	0.6369
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.7152	0.6503
Schistosoma mansoni	tubulin subunit beta	0.0048	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0048	1	1
Schistosoma mansoni	endoplasmin	0.0039	0.7152	0.7152
Leishmania major	beta tubulin	0.0048	1	1
Echinococcus granulosus	tubulin subunit beta	0.0048	1	1
Leishmania major	beta tubulin	0.0048	1	1
Brugia malayi	heat shock protein 90	0.0039	0.7152	0.7152
Onchocerca volvulus		0.0018	0	0.5
Loa Loa (eye worm)	tubulin beta chain	0.0048	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0048	1	1
Trypanosoma cruzi	beta tubulin, putative	0.0048	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0048	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.4519	0.3014
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0039	0.7152	0.4803
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Schistosoma mansoni	tubulin subunit beta	0.0048	1	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0048	1	1
Schistosoma mansoni	heat shock protein	0.0039	0.7152	0.7152
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.4519	0.3014
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0018	0	0.5
Leishmania major	beta tubulin	0.0048	1	1
Schistosoma mansoni	tubulin subunit beta	0.0048	1	1
Loa Loa (eye worm)	heat shock protein 90	0.0039	0.7152	0.7152
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0048	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.7152	0.4803
Brugia malayi	Endoplasmin precursor	0.0039	0.7152	0.7152
Onchocerca volvulus		0.0018	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 0.152 uM	Growth inhibition of human HCT116 cells after 24 hrs by SRB assay	ChEMBL.	18020435
GI50 (functional)	= 0.152 uM	Growth inhibition of human HCT116 cells after 24 hrs by SRB assay	ChEMBL.	18020435
IC50 (binding)	= 0.022 uM	Displacement of fluorescent labelled VER-00051001 from human Hsp90beta by FP assay	ChEMBL.	18020435
IC50 (binding)	= 0.022 uM	Displacement of fluorescent labelled VER-00051001 from human Hsp90beta by FP assay	ChEMBL.	18020435

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 501948