TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 416.885 | Formula: C18H17ClN6O2S
H donors: 3 H acceptors: 4 LogP: 1.98 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)NCCSc1nc(N)nc(n1)c1c(Cl)cc2c3c1cccc3COC2
InChi: 1S/C18H17ClN6O2S/c19-12-6-10-8-27-7-9-2-1-3-11(13(9)10)14(12)15-23-16(20)25-18(24-15)28-5-4-22-17(21)26/h1-3,6H,4-5,7-8H2,(H3,21,22,26)(H2,20,23,24,25)
InChiKey: UEKXHCLGSLQRLP-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 A 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
Candida albicans	hypothetical protein	Get druggable targets OG5_126623	All targets in OG5_126623
Babesia bovis	hsp90 protein	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
Trichomonas vaginalis	heat shock protein, putative	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 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
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
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	endoplasmin	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 cruzi	heat shock protein 90, 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
Plasmodium falciparum	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
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
Trypanosoma cruzi	heat shock protein 85, 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
Entamoeba histolytica	heat shock protein 90, 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
Trypanosoma brucei gambiense	heat shock protein 83,heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	endoplasmin	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
Toxoplasma gondii	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 cruzi	heat shock protein 85, 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 braziliensis	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania donovani	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	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
Schistosoma japonicum	ko:K04079 molecular chaperone HtpG, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Brugia malayi	Endoplasmin precursor	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium berghei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, 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 brucei	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 mexicana	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
Giardia lamblia	Heat shock protein HSP 90-alpha	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	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
Plasmodium knowlesi	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	Heat shock protein HSP 90-alpha, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	IPR003367,Thrombospondin type 3 repeat;IPR002048,Calcium-binding EF-hand,domain-containing	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
Entamoeba histolytica	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
Neospora caninum	HSP90, related	Get druggable targets OG5_126623	All targets in OG5_126623
Cryptosporidium parvum	Hsp90	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
Trypanosoma cruzi	heat shock protein 85, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma mansoni	heat shock protein	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 braziliensis	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
Schistosoma japonicum	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
Echinococcus granulosus	heat shock protein 90	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
Trypanosoma brucei	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 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
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
Plasmodium vivax	endoplasmin, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus granulosus	heat shock protein 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
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	putative heat shock protein 81-2	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K09487 heat shock protein 90kDa beta, 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
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Treponema pallidum	heat shock protein 90	Get druggable targets OG5_126623	All targets in OG5_126623
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
Toxoplasma gondii	heat shock protein HSP90	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania donovani	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma congolense	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
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	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
Trichomonas vaginalis	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
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	Heat shock protein 83, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	endoplasmin, 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 mexicana	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma cruzi	heat shock protein 85, 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
Neospora caninum	HSP90-like protein, related	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Echinococcus multilocularis	endoplasmin	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

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	heat shock protein	0.0039	0.0299	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0561	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0264	0.4489	0.4319
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0264	0.4489	0.4319
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0561	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0561	1	1
Brugia malayi	hypothetical protein	0.0296	0.5079	0.4928
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0561	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0264	0.4489	0.4319
Brugia malayi	Nuclear hormone receptor-like 1	0.0296	0.5079	0.4928
Brugia malayi	nuclear hormone receptor	0.0561	1	1
Brugia malayi	hypothetical protein	0.0264	0.4489	0.4319
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0561	1	1
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0264	0.4489	0.4405
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0151	0.4732
Schistosoma mansoni	retinoic acid receptor RXR	0.0561	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0561	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0561	1	1
Brugia malayi	hypothetical protein	0.0264	0.4489	0.4319
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0264	0.4489	0.4319
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0561	1	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0031	0.0151	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0561	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0299	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0561	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0561	1	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0031	0.0151	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0561	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0299	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Mycobacterium ulcerans	heat shock protein 90	0.0031	0.0151	0.5
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0296	0.5079	0.4928
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0296	0.5079	0.5004
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0296	0.5079	0.4928
Plasmodium vivax	heat shock protein 86, putative	0.0039	0.0299	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0561	1	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0561	1	1
Schistosoma mansoni	nuclear receptor	0.0264	0.4489	0.4319
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0296	0.5079	0.4928
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0151	0.4732
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Brugia malayi	nuclear receptor NHR-88	0.0561	1	1
Loa Loa (eye worm)	nuclear hormone receptor	0.0264	0.4489	0.4319
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0561	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0264	0.4489	0.4319
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0561	1	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0039	0.0299	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0296	0.5079	0.4928
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0264	0.4489	0.4319
Schistosoma mansoni	thyroid hormone receptor	0.0561	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0561	1	1
Brugia malayi	nuclear receptor RXR	0.0264	0.4489	0.4319
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0299	1
Brugia malayi	nuclear receptor RXR	0.0296	0.5079	0.4928
Echinococcus granulosus	heat shock protein 90	0.0039	0.0299	0.0151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0561	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.0039	0.0299	0.5
Brugia malayi	hypothetical protein	0.0296	0.5079	0.4928
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0561	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0561	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0264	0.4489	0.4405
Echinococcus granulosus	FTZ F1 alpha	0.0561	1	1
Plasmodium falciparum	heat shock protein 90	0.0039	0.0299	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0031	0.0151	0.503
Brugia malayi	tailless protein	0.0264	0.4489	0.4319
Brugia malayi	nuclear receptor NHR-88	0.0264	0.4489	0.4319
Echinococcus multilocularis	heat shock protein 90	0.0039	0.0299	0.0151
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0264	0.4489	0.4405
Brugia malayi	nuclear hormone receptor family member odr-7	0.0264	0.4489	0.4319
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Schistosoma mansoni	zinc finger protein	0.0264	0.4489	0.4319
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Trypanosoma brucei	heat shock protein 90, putative	0.0039	0.0299	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0561	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0561	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Loa Loa (eye worm)	hypothetical protein	0.0296	0.5079	0.4928
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Trypanosoma brucei	Heat shock protein 83, putative	0.0039	0.0299	0.5
Plasmodium vivax	endoplasmin, putative	0.0039	0.0299	0.5
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Schistosoma mansoni	thyroid hormone receptor	0.0561	1	1
Toxoplasma gondii	heat shock protein 90, putative	0.0039	0.0299	0.5
Loa Loa (eye worm)	DR-78	0.0264	0.4489	0.4319
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0561	1	1
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0264	0.4489	0.4319
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0561	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0264	0.4489	0.4405
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0561	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0296	0.5079	0.5004
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0561	1	1
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0031	0.0151	0.503
Schistosoma mansoni	nuclear receptor	0.0264	0.4489	0.4319
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0561	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0264	0.4489	0.4405
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0561	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0264	0.4489	0.4319
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0151	0.4732
Echinococcus multilocularis	FTZ F1 alpha	0.0561	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0561	1	1
Brugia malayi	steroid hormone receptor	0.0561	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0561	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0296	0.5079	0.4928
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0561	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0039	0.0299	0.5
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0264	0.4489	0.4405
Brugia malayi	Nuclear hormone receptor-like 1	0.0296	0.5079	0.4928
Loa Loa (eye worm)	hypothetical protein	0.0296	0.5079	0.4928
Brugia malayi	nuclear receptor NHR-67	0.0264	0.4489	0.4319
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0561	1	1
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0299	0.5
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0296	0.5079	0.4928
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0561	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0561	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0264	0.4489	0.4405
Brugia malayi	conserved hypotetical protein	0.0264	0.4489	0.4319
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Toxoplasma gondii	heat shock protein HSP90	0.0039	0.0299	0.5
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Brugia malayi	nuclear hormone receptor	0.0264	0.4489	0.4319
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0561	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.0039	0.0299	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0561	1	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0039	0.0299	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0561	1	1
Schistosoma mansoni	coup transcription factor	0.0561	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0561	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0264	0.4489	0.4319
Onchocerca volvulus		0.0561	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0299	1
Treponema pallidum	heat shock protein 90	0.0031	0.0151	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0561	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0264	0.4489	0.4405
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0031	0.0151	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0561	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0561	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0264	0.4489	0.4405
Schistosoma mansoni	RAR-like nuclear receptor	0.0561	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0561	1	1
Brugia malayi	ecdysone receptor	0.0264	0.4489	0.4319
Echinococcus multilocularis	ecdysone induced protein 78C	0.0561	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.0299	1
Schistosoma mansoni	nuclear hormone receptor	0.0264	0.4489	0.4319
Echinococcus granulosus	heat shock protein	0.0039	0.0299	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0264	0.4489	0.4405
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0264	0.4489	0.4405
Loa Loa (eye worm)	hypothetical protein	0.0264	0.4489	0.4319
Brugia malayi	Nuclear hormone receptor-like 1	0.0561	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0264	0.4489	0.4319
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0561	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0264	0.4489	0.4405
Schistosoma mansoni	nuclear receptor nhr-48	0.0264	0.4489	0.4319

Activities

Activity type	Activity value	Assay description	Source	Reference
CL (ADMET)	= 13 microL/min/mg	Intrinsic clearance in human liver microsomes at 5 uM by LC-MS/MS analysis	ChEMBL.	24369839
IC50 (functional)	= 0.23 uM	Cytotoxicity against human NCI-N87 cells after 4 days by CCk-8 assay	ChEMBL.	24369839
Kd (binding)	= 1.4 nM	Binding affinity to human biotinylated N-terminal Hsp90alpha (9 to 236) by surface plasmon resonance assay	ChEMBL.	24369839

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24369839

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: CHEMBL3104274

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1818198