TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 492.406 | Formula: C23H30BrN3O4
H donors: 2 H acceptors: 2 LogP: 2.63 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: OC(CN1CCN(CC1)c1ccccc1NC(=O)C)COCCOc1ccc(cc1)Br
InChi: 1S/C23H30BrN3O4/c1-18(28)25-22-4-2-3-5-23(22)27-12-10-26(11-13-27)16-20(29)17-30-14-15-31-21-8-6-19(24)7-9-21/h2-9,20,29H,10-17H2,1H3,(H,25,28)
InChiKey: FTTRUPOADANZGZ-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
Leishmania infantum	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Schistosoma japonicum	ko:K09487 heat shock protein 90kDa beta, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania braziliensis	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	Get druggable targets OG5_126623	All targets in OG5_126623
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
Schistosoma mansoni	endoplasmin	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
Cryptosporidium parvum	Hsp90	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
Candida albicans	heat shock protein	Get druggable targets OG5_126623	All targets in OG5_126623
Neospora caninum	HSP90, related	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
Schistosoma japonicum	ko:K04079 molecular chaperone HtpG, 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
Plasmodium yoelii	heat shock 90 kDa protein homolog	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
Echinococcus multilocularis	endoplasmin	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
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium yoelii	putative heat shock protein 81-2	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium vivax	endoplasmin, 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
Leishmania major	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
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	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
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	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
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium knowlesi	endoplasmin, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei gambiense	heat shock protein 83,heat shock protein	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
Trichomonas vaginalis	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
Leishmania braziliensis	heat shock protein 83-1	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
Trypanosoma brucei	Heat shock protein 83, 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
Plasmodium vivax	heat shock protein 86, 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
Leishmania donovani	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
Treponema pallidum	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
Echinococcus multilocularis	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
Trypanosoma brucei	heat shock protein 90, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Neospora caninum	HSP90-like protein, related	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	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
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	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Loa Loa (eye worm)	endoplasmin	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, 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
Babesia bovis	hsp90 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
Candida albicans	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
Giardia lamblia	Heat shock protein HSP 90-alpha	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
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
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trichomonas vaginalis	heat shock protein, putative	Get druggable targets OG5_126623	All targets in OG5_126623
Plasmodium falciparum	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, 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
Echinococcus granulosus	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
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
Echinococcus multilocularis	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	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 granulosus	endoplasmin	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	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, 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
Schistosoma mansoni	heat shock 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
Trypanosoma brucei gambiense	Heat shock protein 83, 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
Entamoeba histolytica	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
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
Leishmania braziliensis	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
Giardia lamblia	Heat shock protein HSP 90-alpha	Get druggable targets OG5_126623	All targets in OG5_126623
Leishmania major	heat shock protein 83-1	Get druggable targets OG5_126623	All targets in OG5_126623
Trypanosoma brucei	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
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
Giardia lamblia	Grp94/Hsp90	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 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
Trypanosoma brucei	heat shock protein 90, putative	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
Brugia malayi	heat shock protein 90	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
Schistosoma japonicum	Heat shock protein HSP 90-alpha, putative	Get druggable targets OG5_126623	All targets in OG5_126623

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0671	0.1314	0.3449
Schistosoma mansoni	acetyl-CoA carboxylase	0.4949	1	1
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0173	0.0305	0.0494
Echinococcus granulosus	dihydrolipoyllysine residue succinyltransferase	0.0173	0.0305	0.0289
Brugia malayi	Endoplasmin precursor	0.0039	0.0033	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0305	0.0308
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0068	0.0092	0.0075
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.1885	0.378	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.0033	0.0053
Toxoplasma gondii	heat shock protein 90, putative	0.0039	0.0033	0.0025
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.0227	0.0228
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.1885	0.378	1
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0016	0.4732
Echinococcus granulosus	GPCR family 2	0.0068	0.0092	0.0075
Echinococcus multilocularis	dihydrolipoyllysine residue succinyltransferase	0.0173	0.0305	0.0289
Brugia malayi	Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor	0.0173	0.0305	0.0308
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0033	0.0053
Leishmania major	DNA polymerase eta, putative	0.0045	0.0044	0.0036
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0068	0.0092	0.0075
Trypanosoma brucei	heat shock protein 90, putative	0.0039	0.0033	0.0025
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0671	0.1314	0.2129
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0017	0.0009
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0016	0.4732
Plasmodium vivax	heat shock protein 86, putative	0.0039	0.0033	0.0034
Brugia malayi	heat shock protein 90	0.0039	0.0033	0.0026
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0671	0.1314	0.3449
Echinococcus multilocularis	GPCR, family 2	0.0068	0.0092	0.0075
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Echinococcus granulosus	heat shock protein 90	0.0039	0.0033	0.0016
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.1885	0.378	0.377
Leishmania major	dihydrolipoamide acetyltransferase precursorlike protein	0.0173	0.0305	0.0297
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.1885	0.378	1
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.1885	0.378	0.6123
Echinococcus multilocularis	microtubule associated protein 2	0.0781	0.1539	0.1526
Schistosoma mansoni	dihydrolipoamide S-acetyltransferase	0.0173	0.0305	0.0273
Mycobacterium ulcerans	pyruvate carboxylase	0.1885	0.378	1
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.3581	0.7224	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide acyltransferase E2 component	0.0173	0.0305	0.0766
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0033	0.0053
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0671	0.1314	0.3449
Echinococcus granulosus	dna polymerase eta	0.0045	0.0044	0.0027
Plasmodium vivax	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative	0.0173	0.0305	0.0411
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Wolbachia endosymbiont of Brugia malayi	branched-chain alpha-keto acid dehydrogenase subunit E2	0.0173	0.0305	0.0766
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0671	0.1314	0.1308
Brugia malayi	Latrophilin receptor protein 2	0.0068	0.0092	0.0087
Mycobacterium ulcerans	hypothetical protein	0.0173	0.0305	0.0766
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.1885	0.378	0.3775
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E2	0.0173	0.0305	0.0297
Plasmodium falciparum	dihydrolipoamide acyltransferase component E2	0.0173	0.0305	0.042
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.4949	1	1
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Toxoplasma gondii	dihydrolipoamide acyltransferase, putative	0.0173	0.0305	0.0297
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.0227	0.0228
Trypanosoma brucei	acetyl-CoA carboxylase	0.4949	1	1
Plasmodium falciparum	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex	0.0173	0.0305	0.042
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0671	0.1314	0.3449
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Plasmodium vivax	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative	0.0173	0.0305	0.0411
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Schistosoma mansoni	hypothetical protein	0.0068	0.0092	0.0059
Brugia malayi	MH2 domain containing protein	0.0135	0.0227	0.0228
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0216	0.0392	0.0398
Loa Loa (eye worm)	heat shock protein 90	0.0039	0.0033	0.0026
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0844	0.1666	1
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0671	0.1314	0.13
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.1885	0.378	0.6123
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.0044	0.0037
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0173	0.0305	0.0273
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Leishmania major	acetyl-CoA carboxylase, putative	0.4949	1	1
Plasmodium falciparum	heat shock protein 90	0.0039	0.0033	0.0043
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0039	0.0033	0.0098
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0173	0.0305	0.0494
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.1885	0.378	0.376
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0173	0.0305	0.0273
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0671	0.1314	0.3449
Plasmodium falciparum	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex	0.0173	0.0305	0.042
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0008	0.0008
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0671	0.1314	0.1308
Trypanosoma brucei	pyruvate dehydrogenase complex E3 binding protein, putative	0.0173	0.0305	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0305	0.0308
Leishmania major	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0173	0.0305	0.0297
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.0426	0.0818	0.213
Trypanosoma brucei	unspecified product	0.1239	0.2469	0.2463
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Trypanosoma brucei	dihydrolipoamide branched chain transacylase, putative	0.0173	0.0305	0.0297
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.0044	0.0071
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.0426	0.0818	0.0811
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0671	0.1314	0.3449
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0017	0.0027
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0008	0.0013
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.3581	0.7224	1
Schistosoma mansoni	pyruvate carboxylase	0.1885	0.378	0.376
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Toxoplasma gondii	heat shock protein HSP90	0.0039	0.0033	0.0025
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0426	0.0818	0.0788
Schistosoma mansoni	hypothetical protein	0.0068	0.0092	0.0059
Brugia malayi	latrophilin 2 splice variant baaae	0.0148	0.0253	0.0254
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0671	0.1314	0.1286
Loa Loa (eye worm)	hypothetical protein	0.0216	0.0392	0.0398
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.0044	0.0036
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.1885	0.378	1
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Echinococcus multilocularis	dihydrolipoyllysine residue acetyltransferase	0.0173	0.0305	0.0289
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0216	0.0392	0.0398
Mycobacterium leprae	Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB	0.0173	0.0305	0.0766
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0173	0.0305	0.0494
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Mycobacterium tuberculosis	Biotinylated protein TB7.3	0.0173	0.0305	0.0766
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.0426	0.0818	0.1325
Trichomonas vaginalis	heat shock protein, putative	0.0031	0.0016	0.4732
Toxoplasma gondii	pyruvate carboxylase	0.1885	0.378	0.3775
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.1885	0.378	0.3775
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0671	0.1314	0.3449
Echinococcus granulosus	tumor protein p63	0.0706	0.1386	0.1372
Trypanosoma brucei	dihydrolipoamide acetyltransferase E2 subunit, putative	0.0173	0.0305	0.0297
Brugia malayi	Carboxyl transferase domain containing protein	0.4776	0.9648	1
Toxoplasma gondii	dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase	0.0173	0.0305	0.0297
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.1885	0.378	0.3775
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.0426	0.0818	0.1325
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0173	0.0305	0.0494
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.1885	0.378	0.376
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0173	0.0305	0.0494
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0671	0.1314	0.3449
Trypanosoma cruzi	Heat shock protein 83, putative	0.0039	0.0033	0.0053
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0216	0.0392	0.0398
Mycobacterium leprae	Probable biotinylated protein homolog TB7.3	0.0173	0.0305	0.0766
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0103	0.0163	0.0161
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Echinococcus multilocularis	heat shock protein	0.0039	0.0033	0.0016
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0844	0.1666	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0092	0.0087
Leishmania major	carboxylase, putative	0.1885	0.378	0.3775
Brugia malayi	dihydrolipoamide S-acetyltransferase precursor, putative	0.0173	0.0305	0.0308
Mycobacterium ulcerans	branched-chain alpha-keto acid dehydrogenase subunit E2	0.0173	0.0305	0.0766
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0671	0.1314	0.2129
Onchocerca volvulus		0.0103	0.0163	0.5
Toxoplasma gondii	biotin-requiring enzyme domain-containing protein	0.0173	0.0305	0.0297
Mycobacterium ulcerans	dihydrolipoamide acetyltransferase	0.0173	0.0305	0.0766
Schistosoma mansoni	hypothetical protein	0.0148	0.0253	0.0221
Echinococcus multilocularis	heat shock protein 90	0.0039	0.0033	0.0016
Echinococcus multilocularis	tumor protein p63	0.0706	0.1386	0.1372
Mycobacterium tuberculosis	Probable branched-chain keto acid dehydrogenase E2 component BkdC	0.0173	0.0305	0.0766
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0671	0.1314	0.3449
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Trypanosoma cruzi	heat shock protein 90, putative	0.0031	0.0016	0.0027
Trypanosoma cruzi	heat shock protein 85, putative	0.0031	0.0016	0.0027
Echinococcus granulosus	heat shock protein	0.0039	0.0033	0.0016
Toxoplasma gondii	2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein	0.0173	0.0305	0.0297
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.4949	1	1
Leishmania major	DNA polymerase eta, putative	0.0031	0.0017	0.0009
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0008	0.0013
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0068	0.0092	0.0075
Plasmodium vivax	endoplasmin, putative	0.0039	0.0033	0.0034
Schistosoma mansoni	dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase	0.0173	0.0305	0.0273
Schistosoma mansoni	DNA polymerase eta	0.0045	0.0044	0.0011
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0068	0.0092	0.0087
Leishmania major	dihydrolipoamide acetyltransferase precursor, putative	0.0173	0.0305	0.0297
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0671	0.1314	0.13
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0031	0.0016	0.0008
Schistosoma mansoni	cellular tumor antigen P53	0.0103	0.0163	0.0131
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.1885	0.378	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0253	0.0254
Treponema pallidum	pyruvate carboxylase subunit B	0.0173	0.0305	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0008	0.0008
Brugia malayi	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta	0.0173	0.0305	0.0308
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0671	0.1314	0.3449
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0671	0.1314	0.3449
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.1885	0.378	0.377
Leishmania major	dihydrolipoamide branched chain transacylase, putative	0.0173	0.0305	0.0297
Mycobacterium tuberculosis	DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase	0.0173	0.0305	0.0766
Echinococcus granulosus	Biotin lipoyl attachment	0.0173	0.0305	0.0289
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0068	0.0092	0.0087
Plasmodium falciparum	carbamoyl phosphate synthetase	0.0426	0.0818	0.113
Echinococcus granulosus	dihydrolipoyllysine residue acetyltransferase	0.0173	0.0305	0.0289
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.1885	0.378	1
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Echinococcus multilocularis	Biotin lipoyl attachment	0.0173	0.0305	0.0289
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0671	0.1314	0.1308
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0671	0.1314	0.1308
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0033	0.0053
Trypanosoma cruzi	dihydrolipoamide acetyltransferase, putative	0.0173	0.0305	0.0494
Schistosoma mansoni	microtubule-associated protein tau	0.0781	0.1539	0.1512
Trypanosoma brucei	heat shock protein 90, putative	0.0039	0.0033	0.0025
Trypanosoma cruzi	acetyl-CoA carboxylase	0.3064	0.6173	1
Schistosoma mansoni	hypothetical protein	0.0068	0.0092	0.0059
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0173	0.0305	0.0494
Loa Loa (eye worm)	hypothetical protein	0.0173	0.0305	0.0308
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0033	1
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0671	0.1314	0.3233
Toxoplasma gondii	carbamoylphosphate synthetase	0.0426	0.0818	0.0811
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0068	0.0092	0.0075
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0671	0.1314	0.2129
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0671	0.1314	0.3449
Trypanosoma brucei	heat shock protein, putative	0.0039	0.0033	0.0025
Schistosoma mansoni	aspartate carbamoyltransferase	0.0426	0.0818	0.0788
Loa Loa (eye worm)	endoplasmin	0.0039	0.0033	0.0026
Leishmania major	carbamoyl-phosphate synthase, putative	0.0426	0.0818	0.0811
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0426	0.0818	0.0788
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0044	0.0037
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.4949	1	1
Schistosoma mansoni	hypothetical protein	0.0068	0.0092	0.0059
Echinococcus multilocularis	dna polymerase eta	0.0045	0.0044	0.0027
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Trypanosoma brucei	Heat shock protein 83, putative	0.0039	0.0033	0.0025
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.4776	0.9648	1
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0426	0.0818	0.1123
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025
Echinococcus granulosus	microtubule associated protein 2	0.0781	0.1539	0.1526
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.1885	0.378	1
Trypanosoma brucei	2-oxoglutarate dehydrogenase E2 component, putative	0.0173	0.0305	0.0297
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0426	0.0818	0.213
Chlamydia trachomatis	biotin carboxylase	0.1712	0.3428	1
Leishmania major	heat shock protein 83-1	0.0039	0.0033	0.0025

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11.45 uM	Inhibition of full-length Hsp90-ATPase activity (unknown origin) assessed as inhibition of ATP hydrolysis by spectrophotometry	ChEMBL.	24582477
IC50 (functional)	= 20.41 uM	Antiproliferative activity against human HCT116 cells assessed as inhibition of cell viability after 48 hrs by MTT assay	ChEMBL.	24582477

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: CHEMBL3126065

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1829226