TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 526.956 | Formula: C24H22ClF3N2O4S
H donors: 2 H acceptors: 3 LogP: 3.39 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.Clc1cc(ccc1OC1CCN(C1)Cc1ccccc1)NC(=O)c1cscc1
InChi: 1S/C22H21ClN2O2S.C2HF3O2/c23-20-12-18(24-22(26)17-9-11-28-15-17)6-7-21(20)27-19-8-10-25(14-19)13-16-4-2-1-3-5-16;3-2(4,5)1(6)7/h1-7,9,11-12,15,19H,8,10,13-14H2,(H,24,26);(H,6,7)
InChiKey: HYXKPYPEUSCOLN-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0674	0.088
Loa Loa (eye worm)	TOPoisomerase family member	0.0007	0.0032	0.009
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1031	0.1031
Plasmodium vivax	endoplasmin, putative	0.0033	0.0674	0.8502
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0118	0.0118
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.1034	0.1034
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0118	0.0118
Chlamydia trachomatis	DNA gyrase subunit B	0.0007	0.0032	0.5
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Schistosoma mansoni	heat shock protein	0.0013	0.0198	0.0198
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0118	0.0118
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0787	0.0787
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.3054	0.3054
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0346	0.0346
Brugia malayi	MH2 domain containing protein	0.0122	0.2904	0.817
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Trypanosoma brucei	heat shock protein 84, putative	0.0013	0.0198	0.0789
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0032	0.009
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0026	0.051	0.0655
Plasmodium vivax	heat shock protein 90, putative	0.0013	0.0198	0.22
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0085	0.0239
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0787	0.1323
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.1034	0.1034
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0787	0.0787
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0118	0.0332
Brugia malayi	kinase, mitochondrial precursor	0.0007	0.0032	0.009
Schistosoma mansoni	hypothetical protein	0.0102	0.2388	0.2388
Schistosoma mansoni	hypothetical protein	0.0047	0.1034	0.1034
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0118	0.0332
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.1034	0.291
Trichomonas vaginalis	endoplasmin, putative	0.002	0.0362	0.0457
Giardia lamblia	Fructose-bisphosphate aldolase	0.0301	0.733	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0346	0.0902
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0044	0.0044
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0787	0.0787
Brugia malayi	nuclear hormone receptor	0.001	0.0118	0.0332
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0118	0.0118
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0118	0.0332
Entamoeba histolytica	hypothetical protein	0.0092	0.2137	0.2885
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0118	0.0118
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0007	0.0032	0.0004
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0787	0.2214
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0129	0.3054	0.8593
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0118	0.0332
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0147	0.3513	0.6098
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0118	0.0118
Brugia malayi	MH2 domain containing protein	0.0008	0.0075	0.021
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0075	0.021
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0075	0.0075
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0092	0.2137	0.6014
Brugia malayi	beta-lactamase	0.0037	0.0787	0.2214
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0026	0.051	0.0837
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0092	0.2137	1
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0346	0.0434
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0007	0.0032	0.0004
Echinococcus granulosus	heat shock protein 90	0.0033	0.0674	0.0674
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.1034	0.1034
Echinococcus multilocularis	smad	0.0008	0.0075	0.0075
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0013	0.0198	0.0198
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1031	0.2901
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.733	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2126	0.5981
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0026	0.051	0.051
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0149	0.3554	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Trichomonas vaginalis	receptor histidine kinase, putative	0.0007	0.0032	0.0004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0118	0.0332
Entamoeba histolytica	protein kinase domain containing protein	0.0092	0.2137	0.2885
Brugia malayi	Protein kinase domain containing protein	0.0092	0.2137	0.6014
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0674	0.3049
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0118	0.0118
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0075	0.0075
Echinococcus multilocularis	endoplasmin	0.0026	0.051	0.051
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0237	0.5741	1
Onchocerca volvulus		0.0037	0.0787	1
Brugia malayi	heat shock protein 90	0.0033	0.0674	0.1896
Schistosoma mansoni	endoplasmin	0.0033	0.0674	0.0674
Plasmodium falciparum	heat shock protein 90	0.0033	0.0674	1
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0007	0.0032	0.0032
Brugia malayi	Hsp90 protein	0.0013	0.0198	0.0557
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0032	0.009
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0787	0.1323
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0118	0.0118
Echinococcus granulosus	heat shock protein 90	0.0026	0.051	0.051
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0118	0.0118
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0149	0.3554	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0579	0.163
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0787	0.1038
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0787	0.3586
Brugia malayi	beta-lactamase family protein	0.0037	0.0787	0.2214
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.3054	0.3054
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0075	0.0075
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0346	0.043
Mycobacterium ulcerans	heat shock protein 90	0.0026	0.051	0.1373
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.0674	0.0883
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0118	0.0118
Loa Loa (eye worm)	heat shock protein 75	0.0013	0.0198	0.0557
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0787	0.1323
Trypanosoma brucei	heat shock protein 90, putative	0.0033	0.0674	0.3049
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0787	0.1038
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0118	0.0332
Schistosoma mansoni	hypothetical protein	0.0167	0.3998	0.3998
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Leishmania major	heat shock protein, putative	0.0013	0.0198	0.0789
Plasmodium falciparum	heat shock protein 90, putative	0.0013	0.0198	0.2588
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0118	0.0118
Schistosoma mansoni	hypothetical protein	0.0409	1	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0026	0.051	0.1373
Plasmodium vivax	heat shock protein, putative	0.0013	0.0198	0.22
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0787	0.2214
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0032	0.009
Toxoplasma gondii	heat shock protein HSP90	0.0033	0.0674	0.5424
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0118	0.0118
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0007	0.0032	0.0032
Brugia malayi	RNA recognition motif domain containing protein	0.0129	0.3054	0.8593
Brugia malayi	Endoplasmin precursor	0.0033	0.0674	0.1896
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0118	0.0118
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0346	0.043
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0118	0.0118
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.3054	0.3054
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0787	0.1038
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0118	0.1141
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0787	0.2169
Toxoplasma gondii	heat shock protein 75, putative	0.0013	0.0198	0.1404
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0118	0.0118
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1031	0.1031
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0044	0.0044
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.1034	0.1034
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0033	0.0674	0.088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1031	0.1031
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0075	0.0075
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0075	0.0075
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.3054	0.3054
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0787	0.2214
Brugia malayi	RNA binding protein	0.0129	0.3054	0.8593
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0787	0.1323
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0346	0.4893
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0346	0.1492
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0075	0.0075
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0118	0.0332
Brugia malayi	TAR-binding protein	0.0129	0.3054	0.8593
Brugia malayi	beta-lactamase family protein	0.0037	0.0787	0.2214
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0787	0.3586
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0118	0.0118
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0787	0.2214
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0118	0.0332
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.1216	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1034	0.291
Echinococcus multilocularis	GPCR, family 2	0.0047	0.1034	0.1034
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0118	0.0118
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0674	0.3049
Trypanosoma brucei	Heat shock protein 83, putative	0.0033	0.0674	0.3049
Schistosoma mansoni	hypothetical protein	0.0047	0.1034	0.1034
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0007	0.0032	0.0004
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Toxoplasma gondii	heat shock protein 90, putative	0.0033	0.0674	0.5424
Treponema pallidum	fructose-bisphosphate aldolase	0.0301	0.733	1
Trichomonas vaginalis	esterase, putative	0.0037	0.0787	0.1038
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0787	0.1038
Trypanosoma cruzi	Heat shock protein 83, putative	0.0033	0.0674	0.3049
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.1034	0.291
Schistosoma mansoni	cpg binding protein	0.0029	0.0579	0.0579
Loa Loa (eye worm)	RNA binding protein	0.0129	0.3054	0.8593
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0346	0.055
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0149	0.3554	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1031	0.1031
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0346	0.1492
Loa Loa (eye worm)	heat shock protein 90	0.0033	0.0674	0.1896
Onchocerca volvulus		0.0029	0.0579	0.7248
Entamoeba histolytica	protein kinase, putative	0.0092	0.2137	0.2885
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0026	0.051	0.2269
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0301	0.733	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0118	0.0118
Echinococcus granulosus	cpg binding protein	0.003	0.062	0.062
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0118	0.0332
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0118	0.0332
Onchocerca volvulus		0.0037	0.0787	1
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0787	0.2169
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0787	0.2169
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0118	0.0332
Trypanosoma cruzi	heat shock protein 85, putative	0.0033	0.0674	0.3049
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0118	0.0332
Echinococcus multilocularis	heat shock protein 90	0.0033	0.0674	0.0674
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0118	0.0118
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0346	0.0434
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0787	0.1323
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0787	0.3586
Echinococcus granulosus	endoplasmin	0.0026	0.051	0.051
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0787	0.1323
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0007	0.0032	0.0032
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0118	0.0332
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0787	1
Schistosoma mansoni	DNA topoisomerase II	0.0007	0.0032	0.0032
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0787	0.1038
Trichomonas vaginalis	heat shock protein, putative	0.0013	0.0198	0.0232
Mycobacterium ulcerans	lipase LipD	0.0037	0.0787	0.2169
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1031	0.2901
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0118	0.0332
Echinococcus multilocularis	dual specificity	0.0092	0.2137	0.2137
Entamoeba histolytica	protein kinase, putative	0.0092	0.2137	0.2885
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0013	0.0198	0.22
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0346	0.1492
Chlamydia trachomatis	DNA gyrase subunit B	0.0007	0.0032	0.5
Onchocerca volvulus		0.0037	0.0787	1
Echinococcus granulosus	GPCR family 2	0.0047	0.1034	0.1034
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1031	0.1031
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0346	0.043
Loa Loa (eye worm)	hypothetical protein	0.0102	0.2388	0.6718
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0007	0.0032	0.0004
Brugia malayi	Probable DNA topoisomerase II	0.0007	0.0032	0.009
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.2388	0.6718
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Giardia lamblia	Grp94/Hsp90	0.0026	0.051	0.0655
Loa Loa (eye worm)	hypothetical protein	0.001	0.0118	0.0332
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0787	0.2169
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Brugia malayi	MH1 domain containing protein	0.0008	0.0075	0.021
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0088	0.0088
Echinococcus granulosus	heat shock protein	0.0033	0.0674	0.0674
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0118	0.0118
Echinococcus multilocularis	cpg binding protein	0.003	0.062	0.062
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0118	0.0332
Schistosoma mansoni	heat shock protein	0.0033	0.0674	0.0674
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0118	0.0118
Echinococcus granulosus	Smad4	0.0008	0.0075	0.0075
Schistosoma mansoni	ap endonuclease	0.0019	0.0346	0.0346
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0147	0.3513	1
Schistosoma mansoni	Smad4	0.0008	0.0075	0.0075
Trichomonas vaginalis	sensor histidine kinase, putative	0.0007	0.0032	0.0004
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.051	0.0659
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0118	0.0332
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0118	0.0118
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0013	0.0198	0.0228
Trypanosoma brucei	heat shock protein 90, putative	0.0033	0.0674	0.3049
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0088	0.0247
Toxoplasma gondii	exonuclease III APE	0.0019	0.0346	0.2654
Trypanosoma cruzi	heat shock protein 85, putative	0.0026	0.051	0.2269
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Loa Loa (eye worm)	endoplasmin	0.0033	0.0674	0.1896
Loa Loa (eye worm)	hypothetical protein	0.0149	0.3554	1
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0118	0.0118
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0787	0.2214
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0787	0.1323
Onchocerca volvulus		0.001	0.0118	0.1141
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0118	0.0332
Loa Loa (eye worm)	TAR-binding protein	0.0129	0.3054	0.8593
Schistosoma mansoni	hypothetical protein	0.0047	0.1034	0.1034
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0118	0.0118
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0007	0.0032	0.009
Trichomonas vaginalis	receptor histidine kinase, putative	0.0007	0.0032	0.0004
Toxoplasma gondii	ABC1 family protein	0.0037	0.0787	0.6379
Treponema pallidum	heat shock protein 90	0.0026	0.051	0.0655
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0346	0.6574
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0092	0.2137	1
Echinococcus multilocularis	dnaJ subfamily B	0.0409	1	1
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0092	0.2137	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0044	0.0044
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1031	0.1031
Plasmodium vivax	heat shock protein 86, putative	0.0033	0.0674	0.8502
Echinococcus multilocularis	heat shock protein	0.0033	0.0674	0.0674
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0026	0.051	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0118	0.0332
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0075	0.021
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1031	0.1031
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0346	0.1492
Schistosoma mansoni	hypothetical protein	0.0167	0.3998	0.3998
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0007	0.0032	0.009
Schistosoma mansoni	ap endonuclease	0.0019	0.0346	0.0346
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0118	0.0332
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Echinococcus granulosus	tar DNA binding protein	0.0129	0.3054	0.3054
Schistosoma mansoni	heat shock protein	0.0033	0.0674	0.0674
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0118	0.0118
Schistosoma mansoni	coup transcription factor	0.001	0.0118	0.0118
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0088	0.0088
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0007	0.0032	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0787	0.2169
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0092	0.2137	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0346	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0787	0.2214
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0346	0.416
Loa Loa (eye worm)	Smad1	0.0008	0.0075	0.021
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0007	0.0032	0.0004
Echinococcus multilocularis	tar DNA binding protein	0.0129	0.3054	0.3054
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0787	0.2214
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0118	0.1141
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0787	0.1323
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0346	0.0974
Brugia malayi	ecdysteroid receptor	0.001	0.0118	0.0332
Brugia malayi	MH1 domain containing protein	0.0008	0.0075	0.021
Schistosoma mansoni	hypothetical protein	0.0047	0.1034	0.1034
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0118	0.0332
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0787	0.0787
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0118	0.0118
Brugia malayi	MH2 domain containing protein	0.0008	0.0075	0.021
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0075	0.0075
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0579	0.163
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0787	0.2214
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0118	0.0332
Schistosoma mansoni	pyruvate dehydrogenase	0.0007	0.0032	0.0032
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0007	0.0032	0.0032
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0346	0.0974
Echinococcus multilocularis	heat shock protein 90	0.0026	0.051	0.051
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.1377	0.1377
Schistosoma mansoni	endoplasmin	0.0033	0.0674	0.0674
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0787	0.2169
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0007	0.0032	0.0032
Plasmodium falciparum	heat shock protein 90, putative	0.0013	0.0198	0.2588
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0118	0.1141
Schistosoma mansoni	smad	0.0008	0.0075	0.0075
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0044	0.0044
Plasmodium falciparum	endoplasmin, putative	0.002	0.0362	0.5145
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Echinococcus multilocularis	geminin	0.0167	0.3998	0.3998
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.051	0.0659
Trypanosoma cruzi	heat shock protein 90, putative	0.0033	0.0674	0.3049
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.2904	0.817
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0301	0.733	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0026	0.051	0.2269
Entamoeba histolytica	heat shock protein 90, putative	0.0033	0.0674	0.088
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0787	0.2214
Loa Loa (eye worm)	hypothetical protein	0.0091	0.2126	0.5981
Brugia malayi	steroid hormone receptor	0.001	0.0118	0.0332
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0118	0.0118
Echinococcus granulosus	geminin	0.0167	0.3998	0.3998
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0118	0.0118
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.2904	0.817
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Brugia malayi	nuclear receptor NHR-88	0.001	0.0118	0.0332
Trypanosoma cruzi	heat shock protein, putative	0.0013	0.0198	0.0789
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.1034	0.291
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0787	0.1323
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.2137	0.2137
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0007	0.0032	0.0004
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0787	0.1323
Trypanosoma cruzi	heat shock protein 90, putative	0.0019	0.0344	0.148
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0118	0.0332
Echinococcus granulosus	smad	0.0008	0.0075	0.0075
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0147	0.3513	1
Trichomonas vaginalis	heat shock protein, putative	0.0026	0.051	0.0659
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0013	0.0198	0.0198
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0075	0.0075
Leishmania major	hypothetical protein, conserved	0.0037	0.0787	0.3586
Trichomonas vaginalis	heat shock protein, putative	0.002	0.0362	0.0457
Echinococcus granulosus	dual specificity	0.0092	0.2137	0.2137
Trypanosoma brucei	heat shock protein, putative	0.0033	0.0674	0.3049
Echinococcus multilocularis	Smad4	0.0008	0.0075	0.0075
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0118	0.0118
Leishmania major	heat shock protein 83-1	0.0033	0.0674	0.3049
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0118	0.0332
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0118	0.0332
Toxoplasma gondii	Hsp90 domain-containing protein	0.0013	0.0198	0.1404
Brugia malayi	Smad1	0.0008	0.0075	0.021
Schistosoma mansoni	tar DNA-binding protein	0.0129	0.3054	0.3054
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0044	0.0044
Schistosoma mansoni	cpg binding protein	0.003	0.062	0.062
Schistosoma mansoni	cpg binding protein	0.003	0.062	0.062

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 1 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 1.05 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 2.26 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 2.75 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 12 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 75 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 93 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 7.69	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= 1 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 12 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 75 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 93 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 6.13	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 0.73463 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL524564
Search by GSK

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 595231