TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.306 | Formula: C16H13N5O4
H donors: 0 H acceptors: 5 LogP: 0.7 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1[n+]([O-])onc1C(=O)N1CC(=O)N2C(C1)c1ccccc1CC2
InChi: 1S/C16H13N5O4/c17-7-12-15(18-25-21(12)24)16(23)19-8-13-11-4-2-1-3-10(11)5-6-20(13)14(22)9-19/h1-4,13H,5-6,8-9H2
InChiKey: FEGXDOSZRUEOHF-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
Schistosoma mansoni	Thioredoxin glutathione reductase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Toxoplasma gondii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium hominis	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Schistosoma japonicum	ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Theileria parva	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania major	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium falciparum	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania braziliensis	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	MGC84926 protein, related	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma congolense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Babesia bovis	thiodoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Loa Loa (eye worm)	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei gambiense	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma cruzi	trypanothione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Cryptosporidium parvum	thioredoxin reductase 1	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus multilocularis	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium yoelii	thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania mexicana	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	glutathione reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium berghei	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Echinococcus granulosus	thioredoxin glutathione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Trypanosoma brucei	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Candida albicans	similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania donovani	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Brugia malayi	Thioredoxin reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Leishmania infantum	trypanothione reductase	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium knowlesi	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785
Neospora caninum	Glutathione reductase, related	Get druggable targets OG5_126785	All targets in OG5_126785
Plasmodium vivax	thioredoxin reductase, putative	Get druggable targets OG5_126785	All targets in OG5_126785

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium knowlesi	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	518 aa	22.0 %
Onchocerca volvulus		Thioredoxin glutathione reductase	598 aa	533 aa	50.8 %
Toxoplasma gondii	NADPH-glutathione reductase	Thioredoxin glutathione reductase	598 aa	555 aa	33.5 %
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	Thioredoxin glutathione reductase	598 aa	513 aa	25.0 %
Neospora caninum	Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related	Thioredoxin glutathione reductase	598 aa	512 aa	28.3 %
Plasmodium berghei	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	538 aa	25.3 %
Neospora caninum	hypothetical protein	Thioredoxin glutathione reductase	598 aa	485 aa	30.5 %
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	Thioredoxin glutathione reductase	598 aa	521 aa	21.5 %
Plasmodium yoelii	dihydrolipoamide dehydrogenase	Thioredoxin glutathione reductase	598 aa	537 aa	24.2 %
Neospora caninum	glutathione reductase, putative	Thioredoxin glutathione reductase	598 aa	532 aa	34.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Giardia lamblia	PHD finger protein 15	0.0029	0.0217	0.1595
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0043	0.046	0.0981
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0031	0.024	0.0197
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0031	0.024	0.0511
Mycobacterium tuberculosis	Probable dehydrogenase	0.0104	0.1527	0.3256
Plasmodium falciparum	heat shock protein 90	0.0046	0.0509	0.1086
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Schistosoma mansoni	chromobox protein	0.007	0.0927	0.2057
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0285	0.4689	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0325	0.072
Entamoeba histolytica	hypothetical protein	0.0037	0.0347	0.0741
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1361	0.2903
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0243	0.0243
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Schistosoma mansoni	endoplasmin	0.0046	0.0509	0.113
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0191	0.0407
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0101	0.1462	0.3246
Echinococcus granulosus	endoplasmin	0.0043	0.046	0.1021
Onchocerca volvulus		0.0031	0.0243	0.0224
Echinococcus granulosus	heat shock protein	0.0046	0.0509	0.113
Loa Loa (eye worm)	heat shock protein 75	0.0031	0.024	0.024
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0095	0.1361	0.1361
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0515	0.1143
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1361	0.2903
Plasmodium falciparum	lysophospholipase, putative	0.0285	0.4689	1
Brugia malayi	Hsp90 protein	0.0031	0.024	0.024
Toxoplasma gondii	heat shock protein HSP90	0.0046	0.0509	0.1852
Schistosoma mansoni	hypothetical protein	0.017	0.2675	0.5938
Brugia malayi	chromobox protein homolog 3	0.0039	0.0391	0.0391
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0391	0.0833
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.046	0.0981
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.1379	0.3061
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Echinococcus granulosus	CREB binding protein	0.0275	0.4505	1
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0101	0.1462	0.3246
Plasmodium falciparum	esterase, putative	0.0285	0.4689	1
Toxoplasma gondii	heat shock protein 90, putative	0.0046	0.0509	0.1852
Plasmodium vivax	heat shock protein 90, putative	0.0031	0.024	0.0511
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0285	0.4689	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0039	0.0393	0.0838
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0217	0.0217
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Brugia malayi	heat shock protein 90	0.0046	0.0509	0.0509
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0417	0.0926
Echinococcus multilocularis	chromobox protein 1	0.007	0.0927	0.2057
Plasmodium falciparum	endoplasmin, putative	0.0033	0.0289	0.0616
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0095	0.1361	0.3021
Plasmodium vivax	PST-A protein	0.0285	0.4689	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1361	0.2903
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.173	0.3689
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1361	0.2903
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0391	0.0833
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0285	0.4689	1
Brugia malayi	PHD-finger family protein	0.0029	0.0217	0.0217
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.173	0.3689
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0043	0.046	0.0981
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0515	0.1143
Giardia lamblia	Grp94/Hsp90	0.0043	0.046	0.3378
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0504	0.1075
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0509	0.1086
Loa Loa (eye worm)	heat shock protein 90	0.0046	0.0509	0.0509
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.0509	0.1086
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0031	0.024	0.0532
Brugia malayi	amidase	0.0101	0.1462	0.1462
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.0509	0.1086
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0509	0.1086
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0039	0.0393	0.0873
Entamoeba histolytica	hypothetical protein	0.0037	0.0347	0.0741
Loa Loa (eye worm)	hypothetical protein	0.005	0.058	0.058
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0391	0.1516
Brugia malayi	jmjC domain containing protein	0.0096	0.1379	0.1379
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0217	0.0217
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0325	0.072
Echinococcus granulosus	chromobox protein 1	0.007	0.0927	0.2057
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0504	0.1075
Plasmodium vivax	heat shock protein, putative	0.0174	0.2749	0.5862
Schistosoma mansoni	hypothetical protein	0.0034	0.0303	0.0673
Brugia malayi	Thioredoxin reductase	0.0046	0.0504	0.0504
Treponema pallidum	heat shock protein 90	0.0043	0.046	0.5
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0391	0.0391
Brugia malayi	Endoplasmin precursor	0.0046	0.0509	0.0509
Mycobacterium ulcerans	lysophospholipase	0.0285	0.4689	1
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.0509	0.1086
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.058	0.058
Echinococcus multilocularis	peregrin	0.0029	0.0217	0.0482
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0217	0.0482
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0347	0.0771
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Trichomonas vaginalis	heat shock protein, putative	0.0027	0.0173	0.0369
Loa Loa (eye worm)	hypothetical protein	0.005	0.0582	0.0582
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.0509	0.1086
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0046	0.0509	0.374
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0347	0.0771
Trichomonas vaginalis	conserved hypothetical protein	0.0285	0.4689	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0325	0.0325
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0325	0.072
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.046	0.0981
Echinococcus multilocularis	chromobox protein 1	0.007	0.0927	0.2057
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1361	0.2903
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.058	0.058
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.058	0.058
Plasmodium falciparum	lysophospholipase, putative	0.0285	0.4689	1
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0504	0.1835
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.0927	0.0927
Loa Loa (eye worm)	CBP-B	0.0275	0.4505	0.4505
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0526	0.1121
Trypanosoma cruzi	Heat shock protein 83, putative	0.0046	0.0509	0.1086
Mycobacterium tuberculosis	Probable reductase	0.0104	0.1527	0.3256
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0101	0.1462	0.3246
Plasmodium falciparum	lysophospholipase, putative	0.0285	0.4689	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0303	0.0303
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0504	0.1075
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0217	0.079
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0095	0.1361	0.2903
Plasmodium falciparum	heat shock protein 90, putative	0.0027	0.0173	0.0369
Toxoplasma gondii	Hsp90 domain-containing protein	0.0174	0.2749	1
Trypanosoma cruzi	monoglyceride lipase, putative	0.0285	0.4689	1
Trypanosoma brucei	polo-like protein kinase	0.0095	0.1361	0.2903
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.173	0.3003
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0325	0.072
Brugia malayi	Bromodomain containing protein	0.0029	0.0217	0.0217
Schistosoma mansoni	heat shock protein	0.0031	0.024	0.0532
Toxoplasma gondii	heat shock protein 75, putative	0.0031	0.024	0.0872
Chlamydia trachomatis	acyltransferase family protein	0.0017	0	0.5
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Mycobacterium ulcerans	hypothetical protein	0.0285	0.4689	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0039	0.0393	0.2888
Loa Loa (eye worm)	endoplasmin	0.0046	0.0509	0.0509
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0927	0.1977
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0095	0.1361	0.3021
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Schistosoma mansoni	amidase	0.0101	0.1462	0.3246
Leishmania major	heat shock protein, putative	0.0031	0.024	0.0511
Brugia malayi	glutathione reductase	0.0046	0.0504	0.0504
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Leishmania major	monoglyceride lipase, putative	0.0285	0.4689	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0285	0.4689	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0095	0.1361	0.2903
Trypanosoma brucei	monoglyceride lipase, putative	0.0285	0.4689	1
Schistosoma mansoni	hypothetical protein	0.017	0.2675	0.5938
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0104	0.1527	0.2523
Giardia lamblia	Kinase, PLK	0.0095	0.1361	1
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0442	0.0944
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1361	0.2903
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0761	0.0761
Echinococcus granulosus	chromobox protein 1	0.007	0.0927	0.2057
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0031	0.024	0.0532
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.1361	0.2903
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0285	0.4689	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Leishmania major	trypanothione reductase	0.0046	0.0504	0.1075
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0442	0.0944
Echinococcus granulosus	heat shock protein 90	0.0046	0.0509	0.113
Echinococcus granulosus	heat shock protein 90	0.0039	0.0393	0.0873
Plasmodium vivax	heat shock protein 86, putative	0.0046	0.0509	0.1086
Plasmodium vivax	endoplasmin, putative	0.0046	0.0509	0.1086
Brugia malayi	jmjC domain containing protein	0.0035	0.0325	0.0325
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0504	0.1075
Plasmodium falciparum	heat shock protein 90, putative	0.0174	0.2749	0.5862
Mycobacterium ulcerans	heat shock protein 90	0.0043	0.046	0.0981
Mycobacterium tuberculosis	Possible lysophospholipase	0.0285	0.4689	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.0509	0.1086
Trichomonas vaginalis	heat shock protein, putative	0.0033	0.0289	0.0616
Trypanosoma cruzi	heat shock protein 90, putative	0.0019	0.0042	0.009
Echinococcus granulosus	peregrin	0.0029	0.0217	0.0482
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0285	0.4689	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1462	0.1462
Echinococcus granulosus	CREB binding protein	0.0275	0.4505	1
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0285	0.4689	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1361	0.2903
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0347	0.0771
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0927	0.1977
Echinococcus multilocularis	endoplasmin	0.0043	0.046	0.1021
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0303	0.0303
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0217	0.0482
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0504	0.1075
Echinococcus multilocularis	geminin	0.017	0.2675	0.5938
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.173	0.3689
Echinococcus multilocularis	heat shock protein	0.0046	0.0509	0.113
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0104	0.1527	0.3256
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0217	0.0482
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0275	0.4505	1
Trypanosoma brucei	monoglyceride lipase, putative	0.0285	0.4689	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0217	0.0482
Trypanosoma brucei	heat shock protein 84, putative	0.0031	0.024	0.0511
Trypanosoma brucei	Heat shock protein 83, putative	0.0046	0.0509	0.1086
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0043	0.046	0.5
Trypanosoma brucei	heat shock protein, putative	0.0046	0.0509	0.1086
Entamoeba histolytica	hypothetical protein	0.0037	0.0347	0.0741
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0217	0.079
Trichomonas vaginalis	conserved hypothetical protein	0.0285	0.4689	1
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.0509	0.1086
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0285	0.4689	1
Echinococcus multilocularis	heat shock protein 90	0.0039	0.0393	0.0873
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0101	0.1462	0.3246
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.1379	0.3061
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Trypanosoma brucei	trypanothione reductase	0.0046	0.0504	0.1075
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.0509	0.1086
Schistosoma mansoni	CREB-binding protein 2	0.0275	0.4505	1
Schistosoma mansoni	kinase	0.0048	0.0547	0.1215
Echinococcus multilocularis	heat shock protein 90	0.0046	0.0509	0.113
Plasmodium falciparum	glutathione reductase	0.0046	0.0504	0.1075
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0417	0.0926
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.1035	0.2298
Trypanosoma cruzi	heat shock protein, putative	0.0031	0.024	0.0511
Schistosoma mansoni	endoplasmin	0.0046	0.0509	0.113
Trichomonas vaginalis	conserved hypothetical protein	0.0028	0.0191	0.0407
Schistosoma mansoni	chromobox protein	0.007	0.0927	0.2057
Trichomonas vaginalis	heat shock protein, putative	0.0039	0.0393	0.0838
Brugia malayi	serine/threonine-protein kinase plk-2	0.0095	0.1361	0.1361
Echinococcus multilocularis	CREB binding protein	0.0275	0.4505	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0104	0.1527	0.3256
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0504	0.0504
Brugia malayi	TAZ zinc finger family protein	0.0275	0.4505	0.4505
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0104	0.1527	0.3256
Schistosoma mansoni	heat shock protein	0.0046	0.0509	0.113
Brugia malayi	hypothetical protein	0.0037	0.0347	0.0347
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0442	0.197
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0095	0.1361	1
Echinococcus granulosus	geminin	0.017	0.2675	0.5938
Chlamydia trachomatis	hydrolase	0.0017	0	0.5
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.1361	0.2903
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.1361	0.3021
Loa Loa (eye worm)	hypothetical protein	0.0589	1	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0347	0.0741
Brugia malayi	Heterochromatin protein 1	0.007	0.0927	0.0927
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0504	0.0504
Schistosoma mansoni	fatty-acid amide hydrolase	0.0101	0.1462	0.3246
Trypanosoma cruzi	heat shock protein 90, putative	0.0039	0.0393	0.0838
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0526	0.1121
Schistosoma mansoni	heat shock protein	0.0046	0.0509	0.113
Leishmania major	heat shock protein 83-1	0.0046	0.0509	0.1086
Schistosoma mansoni	hypothetical protein	0.0037	0.0347	0.0771
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0217	0.0463
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0217	0.0463
Trichomonas vaginalis	endoplasmin, putative	0.0033	0.0289	0.0616
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0285	0.4689	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0104	0.1527	0.3256

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 30 %	Antiparasitic activity against Schistosoma mansoni infected in female Swiss-Webster mouse assessed as worm killing at 10 uM after 48 hrs by stereomicroscopy	ChEMBL.	25016371
IC50 (binding)	= 0.316 uM	Inhibition of Schistosoma mansoni recombinant thioredoxin glutathione reductase assessed as 5-thio-2nitrobezoic acid formation after 3 mins	ChEMBL.	25016371

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

ChEMBL: CHEMBL3322288

Bibliographic References

No literature references available for this target.

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Detailed information for compound 924080