TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 588.493 | Formula: C25H22BrN3O5S2
H donors: 3 H acceptors: 5 LogP: 3.99 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: Brc1ccc2c(c1)ccc(c2)S(=O)(=O)NCCNC(=O)c1ccc(cc1)c1ccccc1S(=O)(=O)N
InChi: 1S/C25H22BrN3O5S2/c26-21-11-9-20-16-22(12-10-19(20)15-21)36(33,34)29-14-13-28-25(30)18-7-5-17(6-8-18)23-3-1-2-4-24(23)35(27,31)32/h1-12,15-16,29H,13-14H2,(H,28,30)(H2,27,31,32)
InChiKey: GENFZRVCSZSVKY-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
Brugia malayi	Pre-SET motif family protein	0.0207	0.8407	0.8407
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Chlamydia trachomatis	Na(+)-translocating NADH-quinone reductase subunit F	0.0028	0.0584	0.0849
Mycobacterium ulcerans	oxidoreductase	0.0028	0.0584	0.0524
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.065	0.0568
Loa Loa (eye worm)	cytochrome P450 family protein	0.0026	0.0511	0.0511
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0214	0.0214
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0026	0.0506	0.0446
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0063	0.0063
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0026	0.0506	0.1079
Entamoeba histolytica	type A flavoprotein, putative	0.0093	0.344	0.8327
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.4093	0.4093
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0671	0.0671
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0192	0.0192
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0214	0.0151
Loa Loa (eye worm)	flavodoxin family protein	0.0093	0.344	0.344
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0233	0.9529	0.9529
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0028	0.0584	0.0584
Toxoplasma gondii	6-phosphofructokinase	0.0029	0.065	0.139
Mycobacterium ulcerans	6-phosphofructokinase	0.0108	0.4093	0.4055
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.0087	0.0024
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.4093	0.4055
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0093	0.344	0.3382
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0029	0.065	0.1175
Leishmania major	DNA polymerase eta, putative	0.0019	0.0214	0.0151
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0243	1	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0121	0.4648	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0671	0.0671
Trypanosoma brucei	trypanothione reductase	0.0047	0.1428	0.1373
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.4093	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Loa Loa (eye worm)	CYP4Cod1	0.0016	0.0063	0.0063
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0214	0.0214
Leishmania major	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Trypanosoma brucei	NADH-cytochrome b5 reductase-like protein	0.0028	0.0584	0.0524
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0243	1	1
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.065	0.0568
Schistosoma mansoni	diflavin oxidoreductase	0.0121	0.4648	0.4648
Trypanosoma cruzi	p450 reductase, putative	0.0243	1	1
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0243	1	1
Trypanosoma brucei	oxidoreductase-protein, putative	0.0028	0.0584	0.0524
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.4093	1
Plasmodium falciparum	thioredoxin reductase	0.0047	0.1428	0.1353
Schistosoma mansoni	cytochrome B5	0.0028	0.0584	0.0584
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.1428	0.1428
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0028	0.0584	0.0524
Onchocerca volvulus		0.003	0.0671	0.0695
Echinococcus multilocularis	acetylcholinesterase	0.0075	0.2643	0.2643
Trypanosoma brucei	unspecified product	0.0019	0.0214	0.0151
Mycobacterium tuberculosis	Possible oxygenase	0.0028	0.0584	0.1106
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0214	0.0145
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0016	0.0087	0.0024
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0087	0.0087
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0028	0.0584	0.1106
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0093	0.344	0.3382
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0214	0.0151
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0087	0.0024
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0093	0.344	0.3382
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0192	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0108	0.4093	0.4055
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Echinococcus granulosus	Ankyrin	0.0014	0.0005	0.0005
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0028	0.0584	0.0584
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.015	0.5936	0.5936
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0068	0.234	0.234
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0214	0.0055
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0087	0.0087
Echinococcus granulosus	acetylcholinesterase	0.0075	0.2643	0.2643
Trypanosoma brucei	nitrate reductase, putative	0.0028	0.0584	0.0524
Echinococcus granulosus	6 phosphofructokinase	0.0108	0.4093	0.4093
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0075	0.2643	0.2643
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0214	0.0151
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0192	0.0106
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0214	0.0214
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Mycobacterium ulcerans	electron transfer protein FdxB	0.0028	0.0584	0.0524
Echinococcus granulosus	methionine synthase reductase	0.015	0.5936	0.5936
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0624	0.0624
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0214	0.0214
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0102	0.3821	0.3821
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.0087	0.0024
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0028	0.0584	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0243	1	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0014	0.000000090423	0.000000090423
Loa Loa (eye worm)	phosphofructokinase	0.0108	0.4093	0.4093
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.4579	1
Trypanosoma cruzi	p450 reductase, putative	0.0028	0.0584	0.0524
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0671	0.1435
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Plasmodium vivax	hypothetical protein, conserved	0.0093	0.344	0.3382
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Brugia malayi	FAD binding domain containing protein	0.0243	1	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.4093	0.4041
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Schistosoma mansoni	ankyrin 23/unc44	0.0014	0.000000090423	0.000000090423
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0014	0.000000090423	0.000000090423
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0192	0.013
Echinococcus granulosus	dna polymerase eta	0.0019	0.0214	0.0214
Echinococcus multilocularis	methionine synthase reductase	0.015	0.5936	0.5936
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0108	0.4093	0.8918
Brugia malayi	glutathione reductase	0.0047	0.1428	0.1428
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0243	1	1
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0073	0.2572	0.2572
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0214	0.0151
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0243	1	1
Echinococcus multilocularis	carboxylesterase 5A	0.0075	0.2643	0.2643
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0192	0.013
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.0087	0.0176
Echinococcus multilocularis	flap endonuclease 1	0.0026	0.0506	0.0506
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0214	0.0214
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.065	0.0568
Plasmodium falciparum	ferredoxin--NADP reductase	0.0028	0.0584	0.0501
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Onchocerca volvulus		0.0236	0.966	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.0087	0.0024
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Echinococcus multilocularis	cytochrome b5 reductase 4	0.0028	0.0584	0.0584
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0671	0.0671
Mycobacterium tuberculosis	Probable monooxygenase	0.0028	0.0584	0.1106
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0214	0.0214
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0214	0.0151
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0214	0.0128
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0243	1	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0087	0.0024
Entamoeba histolytica	type A flavoprotein, putative	0.0093	0.344	0.8327
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.0087	0.0024
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.065	0.0568
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0671	0.0671
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.4579	1
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0243	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0214	0.0281
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0214	0.0214
Plasmodium vivax	ferredoxin--NADP reductase, putative	0.0028	0.0584	0.0501
Brugia malayi	diaphorase	0.0028	0.0584	0.0584
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.4056	0.8837
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0093	0.344	0.3382
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0005	0.0005
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0014	0.0005	0.0005
Echinococcus multilocularis	6 phosphofructokinase	0.0108	0.4093	0.4093
Trypanosoma cruzi	oxidoreductase-protein, putative	0.0028	0.0584	0.0524
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.4579	1
Leishmania major	ATP-dependent phosphofructokinase	0.0108	0.4093	0.4055
Giardia lamblia	Flavohemoprotein lateral transfer candidate	0.0028	0.0584	0.0571
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.4093	0.4041
Brugia malayi	Thioredoxin reductase	0.0047	0.1428	0.1428
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.3821	0.3821
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0192	0.0192
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.0087	0.0024
Brugia malayi	flavodoxin family protein	0.0093	0.344	0.344
Loa Loa (eye worm)	acetylcholinesterase 1	0.0075	0.2643	0.2643
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0026	0.0506	0.0446
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.1428	0.1373
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0093	0.344	0.3398
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0214	0.0151
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0068	0.234	0.2273
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0093	0.344	0.3382
Trypanosoma cruzi	nitrate reductase, putative	0.0028	0.0584	0.0524
Echinococcus granulosus	flap endonuclease 1	0.0026	0.0506	0.0506
Brugia malayi	Pre-SET motif family protein	0.003	0.0671	0.0671
Plasmodium vivax	6-phosphofructokinase, putative	0.0029	0.065	0.0568
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Entamoeba histolytica	type A flavoprotein, putative	0.0093	0.344	0.8327
Loa Loa (eye worm)	carboxylesterase	0.0075	0.2643	0.2643
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0093	0.344	0.3398
Schistosoma mansoni	ap endonuclease	0.0019	0.0192	0.0192
Echinococcus granulosus	cytochrome b5 reductase 4	0.0028	0.0584	0.0584
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.1428	0.1428
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0028	0.0584	0.0524
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0243	1	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.4056	0.8837
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Schistosoma mansoni	6-phosphofructokinase	0.0108	0.4093	0.4093
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0243	1	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0192	0.0192
Mycobacterium ulcerans	monooxygenase	0.0028	0.0584	0.0524
Mycobacterium tuberculosis	Probable reductase	0.0107	0.4056	0.8837
Leishmania major	NADH-dependent fumarate reductase-like protein	0.0028	0.0584	0.0524
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.065	0.0963
Trichomonas vaginalis	sulfite reductase, putative	0.0243	1	1
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0216	0.8792	0.8782
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0029	0.065	0.0963
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0028	0.0584	0.0524
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.9654	0.9651
Brugia malayi	Protein kinase domain containing protein	0.0014	0.000000090423	0.000000090423
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0029	0.065	0.1406
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.4093	0.4093
Echinococcus granulosus	NADH cytochrome b5 reductase 3	0.0028	0.0584	0.0584
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.065	0.0568
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0243	1	1
Toxoplasma gondii	thioredoxin reductase	0.0047	0.1428	0.3064
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0093	0.344	0.3398
Echinococcus multilocularis	NADH cytochrome b5 reductase 3	0.0028	0.0584	0.0584
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.065	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0214	0.0214
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0028	0.0584	0.0584
Mycobacterium tuberculosis	Probable oxidoreductase	0.0028	0.0584	0.1106
Giardia lamblia	Nitric oxide synthase, inducible	0.0216	0.8792	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.0087	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0068	0.234	0.234
Plasmodium falciparum	glutathione reductase	0.0047	0.1428	0.1353
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.1428	0.2985
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.3821	0.3821
Brugia malayi	phosphofructokinase	0.0108	0.4093	0.4093
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0102	0.3821	0.3821
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0063	0.0063
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0102	0.3821	0.3821
Loa Loa (eye worm)	cytochrome P450 family protein	0.0016	0.0063	0.0063
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0214	0.0214
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0068	0.234	0.234
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.8407	0.8407
Loa Loa (eye worm)	FAD binding domain-containing protein	0.015	0.5936	0.5936
Leishmania major	oxidoreductase-like protein	0.0028	0.0584	0.0524
Leishmania major	cytochrome-b5 reductase, putative	0.0028	0.0584	0.0524
Brugia malayi	Carboxylesterase family protein	0.0075	0.2643	0.2643
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.4093	0.4041
Brugia malayi	Death domain containing protein	0.0014	0.000000090423	0.000000090423
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0192	0.013
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.4056	0.8837
Plasmodium vivax	glutathione reductase, putative	0.0047	0.1428	0.1353
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0192	0.0121
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.065	0.0568
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2643	0.2643
Plasmodium falciparum	flap endonuclease 1	0.0026	0.0506	0.0423
Treponema pallidum	ferredoxin-NADP(+) reductase subunit alpha	0.0028	0.0584	0.124
Brugia malayi	FAD binding domain containing protein	0.015	0.5936	0.5936
Echinococcus granulosus	acetylcholinesterase	0.0075	0.2643	0.2643
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0028	0.0584	0.1106
Brugia malayi	Flap endonuclease-1	0.0026	0.0506	0.0506
Giardia lamblia	Hypothetical protein	0.0216	0.8792	1
Mycobacterium ulcerans	flavodoxin oxidoreductase	0.0028	0.0584	0.0524
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0192	0.0262
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0214	0.0151
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Plasmodium falciparum	nitric oxide synthase, putative	0.0243	1	1
Plasmodium vivax	oxidoreductase NAD-binding domain containing protein	0.0028	0.0584	0.0501
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0192	0.0106
Brugia malayi	Carboxylesterase family protein	0.0075	0.2643	0.2643
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0026	0.0506	0.0446
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0243	1	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0192	0.0192
Toxoplasma gondii	ferredoxin NADP+ oxidoreductase FNR	0.0028	0.0584	0.1247
Echinococcus multilocularis	Ankyrin	0.0014	0.0005	0.0005
Leishmania major	trypanothione reductase	0.0047	0.1428	0.1373
Plasmodium falciparum	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0501
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0214	0.0151
Mycobacterium ulcerans	flavodoxin reductase Hmp	0.0028	0.0584	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0075	0.2643	0.2643
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0214	0.0214
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0214	0.0281
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.1428	0.1353
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0087	0.0087
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0192	0.013
Leishmania major	cytochrome-b5 reductase, putative	0.0028	0.0584	0.0524
Toxoplasma gondii	NADH-cytochrome b5 reductase 1, putative	0.0028	0.0584	0.1247
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0214	0.0214
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0243	1	1
Echinococcus granulosus	cytochrome b5 reductase 4	0.0028	0.0584	0.0584
Echinococcus multilocularis	acetylcholinesterase	0.0075	0.2643	0.2643
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0073	0.2572	0.2572
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.1428	0.1428
Leishmania major	cytochrome P450 reductase, putative	0.0216	0.8792	0.8785
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0192	0.013
Treponema pallidum	flavodoxin	0.0093	0.344	0.8371
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0029	0.065	0.0647
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0093	0.344	0.3398
Loa Loa (eye worm)	diaphorase	0.0028	0.0584	0.0584
Schistosoma mansoni	cytochrome P450 reductase	0.0243	1	1
Loa Loa (eye worm)	glutathione reductase	0.0047	0.1428	0.1428
Plasmodium vivax	SET domain protein, putative	0.003	0.0671	0.0589
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0028	0.0584	0.0524
Loa Loa (eye worm)	hypothetical protein	0.003	0.0671	0.0671
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0108	0.4093	0.0695
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Toxoplasma gondii	phosphofructokinase PFKII	0.0029	0.065	0.139
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.0087	0.0176
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0243	1	1
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0243	1	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0192	0.0106
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0108	0.4093	1
Mycobacterium ulcerans	oxygenase	0.0028	0.0584	0.0524
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0243	1	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.4056	0.8837
Trichomonas vaginalis	phosphofructokinase, putative	0.0108	0.4093	0.4041
Trypanosoma cruzi	reductase, putative	0.0028	0.0584	0.0524
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0029	0.065	0.0568
Toxoplasma gondii	melibiase subfamily protein	0.0102	0.3821	0.8218
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0028	0.0584	0.0524
Brugia malayi	Cytochrome P450 family protein	0.0016	0.0063	0.0063
Echinococcus granulosus	carboxylesterase 5A	0.0075	0.2643	0.2643
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.4579	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0016	0.0087	0.0024
Giardia lamblia	Flap structure-specific endonuclease	0.0026	0.0506	0.0481
Leishmania major	nitrate reductase, putative	0.0028	0.0584	0.0524
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Entamoeba histolytica	phosphofructokinase, putative	0.0108	0.4093	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0016	0.0087	0.0024
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0087	0.0087
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0192	0.0192
Brugia malayi	follicle stimulating hormone receptor	0.0233	0.9529	0.9529
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.0087	0.0024
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0029	0.065	0.0568
Brugia malayi	Cytochrome P450 family protein	0.0026	0.0511	0.0511
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.0192	0.0234
Brugia malayi	6-phosphofructokinase	0.0108	0.4093	0.4093
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0014	0.0005	0.0005
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0214	0.0128
Plasmodium vivax	flavodoxin domain containing protein	0.0216	0.8792	0.8782
Brugia malayi	Melibiase family protein	0.0068	0.234	0.234
Leishmania major	p450 reductase, putative	0.0243	1	1
Leishmania major	reductase, putative	0.0028	0.0584	0.0524
Entamoeba histolytica	type A flavoprotein, putative	0.0093	0.344	0.8327
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0214	0.0214
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Schistosoma mansoni	flap endonuclease-1	0.0023	0.0398	0.0398
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0093	0.344	0.3382
Loa Loa (eye worm)	6-phosphofructokinase	0.0108	0.4093	0.4093
Toxoplasma gondii	flavodoxin domain-containing protein	0.0121	0.4648	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.3821	0.3821
Entamoeba histolytica	Flap nuclease, putative	0.0026	0.0506	0.0805
Trichomonas vaginalis	flap endonuclease-1, putative	0.0026	0.0506	0.0423
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0671	0.0671
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0102	0.3821	0.3821
Leishmania major	hypothetical protein, conserved	0.0093	0.344	0.3398
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.0087	0.0024
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0192	0.0106
Entamoeba histolytica	type A flavoprotein, putative	0.0093	0.344	0.8327
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0028	0.0584	0.0524
Chlamydia trachomatis	sulfite reductase	0.015	0.5936	1
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0123	0.4728	0.4728
Loa Loa (eye worm)	flap endonuclease-1	0.0026	0.0506	0.0506
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0671	0.0671
Brugia malayi	Uncoordinated protein 44	0.0014	0.000000090423	0.000000090423
Brugia malayi	6-phosphofructokinase	0.0108	0.4093	0.4093
Toxoplasma gondii	exonuclease III APE	0.0019	0.0192	0.0403
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0029	0.065	0.139
Trichomonas vaginalis	phosphofructokinase, putative	0.0029	0.065	0.0568
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0214	0.0151
Plasmodium vivax	flap endonuclease 1, putative	0.0026	0.0506	0.0423
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0671	0.0671
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.4056	0.8837
Onchocerca volvulus		0.0028	0.0584	0.0605

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9300 nM	In vitro inhibitory activity against Factor Xa	ChEMBL.	15225723

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.

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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 322083