TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 279.247 | Formula: C16H9NO4
H donors: 1 H acceptors: 3 LogP: 3.07 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c(o1)cccc2
InChi: 1S/C16H9NO4/c18-10-6-5-9-7-11(16(19)21-14(9)8-10)15-17-12-3-1-2-4-13(12)20-15/h1-8,18H
InChiKey: IKLXGICISXJRPJ-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	polo-like kinase 1	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 4	Starlite/ChEMBL	No references
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	PLK/PLK1 protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	ko:K06631 polo-like kinase 1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania infantum	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma brucei gambiense	polo-like protein kinase,protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Giardia lamblia	Kinase, PLK	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma brucei	polo-like protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus granulosus	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Entamoeba histolytica	serine/threonine protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	Serine/threonine-protein kinase PLK1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Brugia malayi	serine/threonine-protein kinase plk-2	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania mexicana	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Onchocerca volvulus	Serine\/threonine kinase homolog	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	glutamate synthase	0.0062	0.0719	0.0709
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0233	0.3321	1
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0021	0.0105	0.0105
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3156
Onchocerca volvulus		0.0021	0.0105	0.0146
Echinococcus granulosus	pyridine nucleotide disulfide oxidoreductase	0.0062	0.0719	0.0709
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0171	0.2381	0.2372
Trypanosoma cruzi	trypanothione reductase, putative	0.0233	0.3321	0.3313
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0233	0.3321	0.2803
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0062	0.0719	0.0709
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.1512	0.4533
Plasmodium vivax	ferrodoxin reductase, putative	0.0062	0.0719	0.049
Entamoeba histolytica	pyridine nucleotide-disulfide oxidoreductase family protein	0.0062	0.0719	0.4718
Trichomonas vaginalis	dihydropyrimidine dehydrogenase, putative	0.0062	0.0719	0.2139
Leishmania major	hypothetical protein, conserved	0.0062	0.0719	0.049
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3313
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.1969	0.196
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0114	0.1512	0.1302
Trypanosoma brucei	hypothetical protein, conserved	0.0062	0.0719	0.049
Loa Loa (eye worm)	glutathione reductase	0.0673	1	1
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0062	0.0719	0.2139
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0233	0.3321	0.3321
Trypanosoma cruzi	hypothetical protein, conserved	0.0062	0.0719	0.0709
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0105	0.0094
Plasmodium falciparum	ferrodoxin reductase-like protein	0.0062	0.0719	0.049
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3313
Giardia lamblia	Kinase, PLK	0.0114	0.1512	0.3046
Schistosoma mansoni	dishevelled	0.0021	0.0105	0.0105
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.1512	0.1502
Trichomonas vaginalis	mercuric reductase, putative	0.0233	0.3321	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0241	0.023
Treponema pallidum	NADH oxidase	0.0233	0.3321	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0062	0.0719	0.0709
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0673	1	1
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0114	0.1512	0.1502
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0114	0.1512	0.2348
Plasmodium falciparum	type II NADH:ubiquinone oxidoreductase	0.0062	0.0719	0.049
Schistosoma mansoni	regulator of G protein signaling	0.0021	0.0105	0.0105
Plasmodium vivax	glutathione reductase, putative	0.0673	1	1
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0021	0.0105	0.0094
Brugia malayi	NADPH:adrenodoxin oxidoreductase, mitochondrial precursor	0.0062	0.0719	0.0709
Trypanosoma brucei	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0062	0.0719	0.049
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0021	0.0105	0.0094
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0233	0.3321	0.3156
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0105	0.0094
Trypanosoma brucei	NADH dehydrogenase	0.0062	0.0719	0.049
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.1512	0.1502
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0233	0.3321	0.3156
Echinococcus granulosus	NADPH:adrenodoxin oxidoreductase	0.0062	0.0719	0.0709
Toxoplasma gondii	non-proton pumping type-II NADH dehydrogenase I	0.0062	0.0719	0.0621
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0062	0.0719	0.049
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0233	0.3321	0.3313
Echinococcus granulosus	thioredoxin glutathione reductase	0.0673	1	1
Leishmania major	NADH dehydrogenase, putative	0.0062	0.0719	0.049
Brugia malayi	regulator of G-protein signaling egl-10	0.0021	0.0105	0.0094
Plasmodium vivax	NAD(P)H-dependent glutamate synthase, putative	0.0062	0.0719	0.049
Trichomonas vaginalis	glutathione reductase, putative	0.0233	0.3321	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.1969	0.196
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0105	0.0094
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0436	0.6402	1
Trichomonas vaginalis	dihydrolipoamide dehydrogenase, putative	0.0062	0.0719	0.2139
Schistosoma mansoni	hypothetical protein	0.0062	0.0719	0.0719
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0233	0.3321	0.3313
Trypanosoma cruzi	NADH dehydrogenase, putative	0.0062	0.0719	0.0709
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0062	0.0719	0.2139
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0233	0.3321	1
Trypanosoma cruzi	2,4-dienoyl-coa reductase fadh1, putative	0.0062	0.0719	0.0709
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0241	0.0138
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.1512	0.4533
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0021	0.0105	0.0146
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0233	0.3321	0.3156
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.1512	0.4533
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0233	0.3321	1
Brugia malayi	MH2 domain containing protein	0.0144	0.1969	0.196
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0062	0.0719	0.2139
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3313
Echinococcus granulosus	sulfide:quinone oxidoreductase	0.0062	0.0719	0.0709
Schistosoma mansoni	kinase	0.0058	0.066	0.066
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0114	0.1512	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0233	0.3321	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3156
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0233	0.3321	0.2803
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0062	0.0719	0.0621
Echinococcus multilocularis	pyridine nucleotide disulfide oxidoreductase	0.0062	0.0719	0.0709
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0673	1	1
Schistosoma mansoni	disulfide oxidoreductase	0.0062	0.0719	0.0719
Entamoeba histolytica	thioredoxin reductase, putative	0.0062	0.0719	0.4718
Leishmania major	trypanothione reductase	0.0673	1	1
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0062	0.0719	0.0709
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0105	0.0094
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0233	0.3321	0.3156
Schistosoma mansoni	glutamate synthase	0.0062	0.0719	0.0719
Trichomonas vaginalis	glutamate synthase, putative	0.0062	0.0719	0.2139
Mycobacterium tuberculosis	Probable oxidoreductase	0.0233	0.3321	0.2803
Schistosoma mansoni	ras GTP exchange factor	0.0015	0.0011	0.0011
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0062	0.0719	0.0709
Entamoeba histolytica	dihydropyrimidine dehydrogenase, putative	0.0062	0.0719	0.4718
Trypanosoma cruzi	hypothetical protein, conserved	0.0062	0.0719	0.0709
Trichomonas vaginalis	apoptosis inducing factor, putative	0.0062	0.0719	0.2139
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0233	0.3321	0.2803
Plasmodium vivax	type II NADH:ubiquinone oxidoreductase, putative	0.0062	0.0719	0.049
Loa Loa (eye worm)	pyridine nucleotide-disufhide oxidoreductase	0.0062	0.0719	0.0709
Trypanosoma cruzi	trypanothione reductase, putative	0.0673	1	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0233	0.3321	0.3156
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.1512	0.4533
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0062	0.0719	0.2139
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0233	0.3321	0.3313
Echinococcus multilocularis	apoptosis inducing factor 1 mitochondrial	0.0062	0.0719	0.0709
Brugia malayi	Thioredoxin reductase	0.0673	1	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0241	0.023
Trichomonas vaginalis	glutamate synthase, putative	0.0062	0.0719	0.2139
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0637	0.189
Brugia malayi	hypothetical protein	0.002	0.0077	0.0066
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0233	0.3321	0.3313
Echinococcus granulosus	glutamate synthase	0.0062	0.0719	0.0709
Trypanosoma brucei	pyridine nucleotide-disulphide oxidoreductase, putative	0.0062	0.0719	0.049
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0105	0.0094
Brugia malayi	hypothetical protein	0.0021	0.0105	0.0094
Trypanosoma brucei	2,4-dienoyl-coa reductase-like protein	0.0062	0.0719	0.049
Echinococcus multilocularis	segment polarity protein dishevelled	0.0021	0.0105	0.0094
Toxoplasma gondii	NADPH-glutathione reductase	0.0233	0.3321	0.325
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0233	0.3321	0.3156
Leishmania major	hypothetical protein, conserved	0.0062	0.0719	0.049
Schistosoma mansoni	sulfide quinone reductase	0.0062	0.0719	0.0719
Brugia malayi	serine/threonine-protein kinase plk-2	0.0114	0.1512	0.1502
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0114	0.1512	0.1502
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0062	0.0719	0.2139
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0062	0.0719	0.2139
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.1512	0.4533
Schistosoma mansoni	serine/threonine protein kinase	0.0114	0.1512	0.1512
Plasmodium falciparum	glutathione reductase	0.0233	0.3321	0.3156
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0233	0.3321	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.0021	0.0105	0.0094
Plasmodium falciparum	NAD(P)H-dependent glutamate synthase, putative	0.0062	0.0719	0.049
Schistosoma mansoni	glutamate synthase	0.0062	0.0719	0.0719
Leishmania major	2,4-dienoyl-coa reductase fadh1, putative	0.0062	0.0719	0.049
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0021	0.0105	0.0094
Toxoplasma gondii	thioredoxin reductase	0.0673	1	1
Schistosoma mansoni	dishevelled	0.0021	0.0105	0.0105
Trypanosoma brucei	polo-like protein kinase	0.0114	0.1512	0.1302
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0436	0.6402	0.6398
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3313
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0062	0.0719	0.4718
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0114	0.1512	0.1502
Trichomonas vaginalis	disulfide oxidoreductase, putative	0.0062	0.0719	0.2139
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.1512	0.4533
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0233	0.3321	0.3156
Schistosoma mansoni	dep domain containing protein	0.0021	0.0105	0.0105
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase family protein	0.0062	0.0719	0.0709
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0062	0.0719	0.0709
Echinococcus granulosus	segment polarity protein dishevelled	0.0021	0.0105	0.0094
Schistosoma mansoni	z-protein (S1r protein)	0.0021	0.0105	0.0105
Plasmodium falciparum	glutathione reductase	0.0673	1	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0719	0.0709
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0233	0.3321	0.3156
Schistosoma mansoni	sulfide quinone reductase	0.0062	0.0719	0.0719
Echinococcus granulosus	regulator of G protein signaling 7	0.0021	0.0105	0.0094
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3313
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0233	0.3321	0.3313
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.0637	0.189
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0233	0.3321	0.3156
Leishmania major	2,4-dienoyl-coa reductase-like protein	0.0062	0.0719	0.049
Schistosoma mansoni	ras GTP exchange factor son of sevenless	0.0015	0.0011	0.0011
Brugia malayi	hypothetical protein	0.0021	0.0105	0.0094
Trypanosoma cruzi	pyridine nucleotide-disulphide oxidoreductase, putative	0.0062	0.0719	0.0709
Trichomonas vaginalis	dihydroorotate dehydrogenase, putative	0.0062	0.0719	0.2139
Leishmania major	hypothetical protein, conserved	0.0062	0.0719	0.049
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0233	0.3321	0.3313
Schistosoma mansoni	guanine-nucleotide-exchange-factor	0.0015	0.0011	0.0011
Toxoplasma gondii	selenide, water dikinase	0.0062	0.0719	0.0621
Onchocerca volvulus		0.0062	0.0719	0.1108
Echinococcus multilocularis	regulator of G protein signaling 7	0.0021	0.0105	0.0094
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0233	0.3321	1
Plasmodium vivax	thioredoxin reductase, putative	0.0673	1	1
Echinococcus multilocularis	NADPH:adrenodoxin oxidoreductase	0.0062	0.0719	0.0709
Entamoeba histolytica	disulphide oxidoreductase, putative	0.0062	0.0719	0.4718
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0021	0.0105	0.0094
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0233	0.3321	0.325
Brugia malayi	hypothetical protein	0.003	0.0241	0.023
Brugia malayi	glutamate synthase	0.0062	0.0719	0.0709
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.1512	0.4533
Trypanosoma cruzi	NADPH:adrenodoxin oxidoreductase, mitochondrial, putative	0.0062	0.0719	0.0709
Toxoplasma gondii	NADH dehydrogenase (NDH2-II)	0.0062	0.0719	0.0621
Entamoeba histolytica	NAD(FAD)-dependent dehydrogenase, putative	0.0062	0.0719	0.4718
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0021	0.0105	0.0094
Echinococcus multilocularis	dihydropyrimidine dehydrogenase (NADP+)	0.0062	0.0719	0.0709
Loa Loa (eye worm)	thioredoxin reductase	0.0673	1	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0233	0.3321	0.3156
Echinococcus multilocularis	sulfide:quinone oxidoreductase	0.0062	0.0719	0.0709
Echinococcus granulosus	apoptosis inducing factor 1 mitochondrial	0.0062	0.0719	0.0709
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0241	0.023
Trypanosoma brucei	trypanothione reductase	0.0673	1	1
Plasmodium falciparum	thioredoxin reductase	0.0233	0.3321	0.3156
Trypanosoma cruzi	2,4-dienoyl-coa reductase-like protein, putative	0.0062	0.0719	0.0709
Loa Loa (eye worm)	DIX domain-containing protein	0.0021	0.0105	0.0094
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0062	0.0719	0.0621
Brugia malayi	DIX domain containing protein	0.0021	0.0105	0.0094
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0233	0.3321	1
Loa Loa (eye worm)	programmed cell death 8	0.0062	0.0719	0.0709
Plasmodium falciparum	thioredoxin reductase	0.0673	1	1
Brugia malayi	N-terminal motif family protein	0.0436	0.6402	0.6398
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0233	0.3321	1
Echinococcus granulosus	dihydropyrimidine dehydrogenase NADP	0.0062	0.0719	0.0709
Schistosoma mansoni	glutamate synthase	0.0062	0.0719	0.0719
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0171	0.2381	0.2372
Entamoeba histolytica	glutamate synthase beta subunit, putative	0.0062	0.0719	0.4718
Toxoplasma gondii	pyridine nucleotide-disulfide oxidoreductase domain-containing protein	0.0062	0.0719	0.0621
Echinococcus granulosus	segment polarity protein dishevelled	0.0021	0.0105	0.0094

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.709	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.624	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.574	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.571	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.491	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.487	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.478	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.389	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.304	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.235	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.6213 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	63.0957 uM	PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 4 (EPAC2): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL243861

Bibliographic References

No literature references available for this target.

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Detailed information for compound 435179