TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 423.425 | Formula: C20H21N7O4
H donors: 5 H acceptors: 6 LogP: -0.17 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCNC(=O)C1OC(C(C1O)O)n1cnc2c1nc(C#Cc1ccc(cc1)N)nc2N
InChi: 1S/C20H21N7O4/c1-2-23-19(30)16-14(28)15(29)20(31-16)27-9-24-13-17(22)25-12(26-18(13)27)8-5-10-3-6-11(21)7-4-10/h3-4,6-7,9,14-16,20,28-29H,2,21H2,1H3,(H,23,30)(H2,22,25,26)
InChiKey: FELDORDUXYSUKS-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
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0553	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	peripheral plasma membrane protein CASK	0.0027	0.0141	0.0141
Echinococcus multilocularis	partitioning defective 3	0.0027	0.0141	0.0103
Leishmania major	cytochrome P450 reductase, putative	0.049	0.8823	0.8717
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0063	0.0821	0.0821
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0342	0.6039	0.6039
Plasmodium vivax	flavodoxin domain containing protein	0.049	0.8823	0.8717
Schistosoma mansoni	tight junction protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	myeloid:lymphoid or mixed lineage leukemia	0.0027	0.0141	0.0103
Echinococcus multilocularis	segment polarity protein dishevelled	0.0036	0.0327	0.0289
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0553	1	1
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0027	0.0141	0.0103
Echinococcus multilocularis	MAGUK p55 subfamily	0.0027	0.0141	0.0103
Brugia malayi	Bromodomain containing protein	0.0081	0.1156	0.1029
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0063	0.0821	0.5
Echinococcus granulosus	amyloid beta A4 protein	0.0027	0.0141	0.0103
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0027	0.0141	0.0103
Echinococcus multilocularis	rho guanine nucleotide exchange factor 12	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Schistosoma mansoni	regulator of G protein signaling	0.0027	0.0141	0.0103
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0488	0.0451
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0488	0.0451
Echinococcus multilocularis	amyloid beta A4 protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	pdz domain containing protein	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	cell junction protein LIN-7	0.0027	0.0141	0.0141
Leishmania major	hypothetical protein, conserved	0.0212	0.3605	0.3033
Entamoeba histolytica	type A flavoprotein, putative	0.0212	0.3605	0.5
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Chlamydia trachomatis	sulfite reductase	0.0342	0.6039	1
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0553	1	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0036	0.0327	0.0289
Echinococcus granulosus	beta 1 syntrophin	0.0027	0.0141	0.0103
Brugia malayi	diaphorase	0.0063	0.0821	0.069
Schistosoma mansoni	MAGUK homolog	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus multilocularis	cell polarity protein leucine rich repeat	0.0027	0.0141	0.0103
Echinococcus multilocularis	glutamate receptor interacting protein 1	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus multilocularis		0.0027	0.0141	0.0103
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	disks large 3	0.0027	0.0141	0.0103
Toxoplasma gondii	flavodoxin domain-containing protein	0.0275	0.4783	1
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0063	0.0821	0.5
Loa Loa (eye worm)	PAR-6 protein	0.0027	0.0141	0.0141
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0212	0.3605	0.3033
Schistosoma mansoni	discs large	0.0027	0.0141	0.0103
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0039	0.0368	0.0331
Schistosoma mansoni	dishevelled	0.0036	0.0327	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0327	0.0327
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0488	0.0451
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0553	1	1
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0036	0.0327	0.0188
Echinococcus granulosus	neurabin 1	0.0027	0.0141	0.0103
Echinococcus granulosus	rho guanine nucleotide exchange factor 12	0.0027	0.0141	0.0103
Echinococcus multilocularis	cytochrome b5 reductase 4	0.0063	0.0821	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Entamoeba histolytica	type A flavoprotein, putative	0.0212	0.3605	0.5
Trypanosoma cruzi	p450 reductase, putative	0.0553	1	1
Mycobacterium tuberculosis	Possible oxygenase	0.0063	0.0821	0.5
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Loa Loa (eye worm)	AGC/MAST/MAST protein kinase	0.0027	0.0141	0.0141
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0212	0.3605	0.3033
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.006	0.006
Entamoeba histolytica	type A flavoprotein, putative	0.0212	0.3605	0.5
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0553	1	1
Brugia malayi	RasGEF domain containing protein	0.0034	0.0274	0.0134
Loa Loa (eye worm)	flavodoxin family protein	0.0212	0.3605	0.3605
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus granulosus	PDZ and LIM domain protein Zasp	0.0027	0.0141	0.0103
Echinococcus multilocularis	Rho GTPase activating protein 21	0.0027	0.0141	0.0103
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0553	1	1
Echinococcus granulosus	PDZ and LIM domain protein Zasp	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0201	0.3412	0.3412
Echinococcus multilocularis	ligand of numb protein x 2	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Brugia malayi	N-terminal motif family protein	0.0201	0.3412	0.3317
Echinococcus multilocularis	beta 1 syntrophin	0.0027	0.0141	0.0103
Echinococcus multilocularis	PDZ and LIM domain protein Zasp	0.0027	0.0141	0.0103
Echinococcus granulosus	Rho GTPase activating protein 21	0.0027	0.0141	0.0103
Echinococcus multilocularis	PDZ and LIM domain protein Zasp	0.0027	0.0141	0.0103
Loa Loa (eye worm)	PX domain-containing protein	0.0027	0.0141	0.0141
Schistosoma mansoni	protein kinase C alpha binding protein	0.0027	0.0141	0.0103
Echinococcus granulosus	myeloid:lymphoid or mixed lineage leukemia	0.0027	0.0141	0.0103
Trichomonas vaginalis	sulfite reductase, putative	0.0553	1	1
Echinococcus granulosus	pdz domain containing protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	tight junction protein ZO 3	0.0027	0.0141	0.0103
Entamoeba histolytica	type A flavoprotein, putative	0.0212	0.3605	0.5
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Schistosoma mansoni	hypothetical protein	0.0022	0.006	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	guanylate kinase	0.0027	0.0141	0.0141
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0027	0.0141	0.0103
Schistosoma mansoni	pdz and lim domain protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	disks large 1	0.0027	0.0141	0.0103
Loa Loa (eye worm)	X11 protein	0.0027	0.0141	0.0141
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0847	0.0812
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus multilocularis	methionine synthase reductase	0.0342	0.6039	0.6023
Echinococcus multilocularis	pdz domain containing protein	0.0027	0.0141	0.0103
Schistosoma mansoni	cell polarity protein	0.0027	0.0141	0.0103
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0553	1	1
Loa Loa (eye worm)	hypothetical protein	0.0553	1	1
Echinococcus granulosus	3'partial\|membrane associated guanylate kinase ww and pdz	0.0027	0.0141	0.0103
Echinococcus multilocularis	Na(+):H(+) exchange regulatory cofactor NHE RF2	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus multilocularis	partitioning defective protein 6	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus granulosus	membrane associated guanylate kinase ww and pdz	0.0027	0.0141	0.0103
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.049	0.8823	0.8159
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Schistosoma mansoni	syntenin	0.0027	0.0141	0.0103
Echinococcus multilocularis	protein piccolo	0.0027	0.0141	0.0103
Schistosoma mansoni	membrane associated guanylate kinase inverted related	0.0027	0.0141	0.0103
Echinococcus granulosus	ligand of numb protein x 2	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus granulosus	SH3 and multiple ankyrin repeat domains protein	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Schistosoma mansoni	bromodomain containing protein	0.0068	0.092	0.0884
Echinococcus multilocularis	peripheral plasma membrane protein CASK	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0076	0.107	0.107
Echinococcus granulosus	cell polarity protein	0.0027	0.0141	0.0103
Schistosoma mansoni	multiple pdz domain protein	0.0027	0.0141	0.0103
Echinococcus granulosus	MAGUK p55 subfamily	0.0027	0.0141	0.0103
Toxoplasma gondii	flavodoxin domain-containing protein	0.0275	0.4783	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus granulosus	Na:H exchange regulatory cofactor NHE RF2	0.0027	0.0141	0.0103
Echinococcus multilocularis	Partitioning defective 3 protein B	0.0027	0.0141	0.0103
Echinococcus granulosus	SH3 and multiple ankyrin repeat domains protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	PDZ and LIM domain protein Zasp	0.0027	0.0141	0.0103
Echinococcus granulosus	disks large 1	0.0027	0.0141	0.0103
Echinococcus granulosus	membrane associated guanylate kinase, WW and PDZ	0.0027	0.0141	0.0103
Schistosoma mansoni	cytochrome B5	0.0063	0.0821	0.0786
Mycobacterium tuberculosis	Probable monooxygenase	0.0063	0.0821	0.5
Loa Loa (eye worm)	PDZ domain-containing protein	0.0027	0.0141	0.0141
Schistosoma mansoni	pdz domain containing protein	0.0027	0.0141	0.0103
Schistosoma mansoni	leucine-rich repeat protein	0.0027	0.0141	0.0103
Schistosoma mansoni	multiple pdz domain protein	0.0027	0.0141	0.0103
Schistosoma mansoni	leucine-rich repeat protein	0.0027	0.0141	0.0103
Echinococcus granulosus	methionine synthase reductase	0.0342	0.6039	0.6023
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Schistosoma mansoni	cytochrome P450 reductase	0.0553	1	1
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0553	1	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0027	0.0141	0.0103
Echinococcus granulosus	multiple pdz domain protein	0.0027	0.0141	0.0103
Echinococcus granulosus	55 kDa erythrocyte membrane protein	0.0027	0.0141	0.0103
Echinococcus granulosus	tight junction protein ZO 3	0.0027	0.0141	0.0103
Echinococcus multilocularis	protein lin 7 B	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus granulosus	pdz domain containing protein	0.0027	0.0141	0.0103
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0553	1	1
Echinococcus granulosus	multiple pdz domain protein	0.0027	0.0141	0.0103
Schistosoma mansoni	maguk P55 subfamily member 26	0.0027	0.0141	0.0103
Echinococcus granulosus	protein lin 7 B	0.0027	0.0141	0.0103
Schistosoma mansoni	cell polarity protein	0.0027	0.0141	0.0103
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0212	0.3605	0.3033
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0212	0.3605	0.3033
Schistosoma mansoni	discs lost-related	0.0027	0.0141	0.0103
Echinococcus multilocularis	partitioning defective 3	0.0027	0.0141	0.0103
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0024	0.0098	0.006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0488	0.0451
Schistosoma mansoni	lin-7-like proteins	0.0027	0.0141	0.0103
Echinococcus multilocularis	NADH cytochrome b5 reductase 3	0.0063	0.0821	0.0786
Echinococcus granulosus	PDZ and LIM domain protein Zasp	0.0027	0.0141	0.0103
Plasmodium vivax	hypothetical protein, conserved	0.0212	0.3605	0.3033
Schistosoma mansoni	sap-97	0.0027	0.0141	0.0103
Brugia malayi	FAD binding domain containing protein	0.0342	0.6039	0.5982
Echinococcus granulosus	SH3 and multiple ankyrin repeat domains protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	pdz domain containing protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	SH3 and multiple ankyrin repeat domains protein	0.0027	0.0141	0.0103
Echinococcus granulosus	multiple pdz domain protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	SH3 and multiple ankyrin repeat domains protein	0.0027	0.0141	0.0103
Schistosoma mansoni	dishevelled	0.0036	0.0327	0.0289
Schistosoma mansoni	pdz domain containing protein	0.0027	0.0141	0.0103
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0212	0.3605	0.3033
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0488	0.0451
Brugia malayi	PHD-finger family protein	0.0027	0.0146	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Schistosoma mansoni	diflavin oxidoreductase	0.0275	0.4783	0.4762
Schistosoma mansoni	amyloid beta A4 protein related	0.0027	0.0141	0.0103
Echinococcus granulosus	partitioning defective 3	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Echinococcus granulosus	membrane associated guanylate kinase ww and pdz	0.0027	0.0141	0.0103
Echinococcus multilocularis	multiple pdz domain protein	0.0027	0.0141	0.0103
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0024	0.0098	0.006
Echinococcus granulosus	glutamate receptor interacting protein 1	0.0027	0.0141	0.0103
Giardia lamblia	Hypothetical protein	0.049	0.8823	1
Loa Loa (eye worm)	syntrophin-1	0.0027	0.0141	0.0141
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0488	0.0451
Echinococcus multilocularis	MAGUK p55 subfamily	0.0027	0.0141	0.0103
Mycobacterium tuberculosis	Probable oxidoreductase	0.0063	0.0821	0.5
Schistosoma mansoni	ATP-dependent RNA Helicase	0.0027	0.0141	0.0103
Schistosoma mansoni	multiple pdz domain protein	0.0027	0.0141	0.0103
Echinococcus granulosus	MAGUK p55 subfamily	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0342	0.6039	0.6023
Echinococcus multilocularis	neurabin 1	0.0027	0.0141	0.0103
Schistosoma mansoni	PDZ domain protein	0.0027	0.0141	0.0103
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0279	0.4861	0.4841
Loa Loa (eye worm)	9ORF binding protein 1	0.0027	0.0141	0.0141
Schistosoma mansoni	sh3 and multiple ankyrin repeat domains protein 12 (shank12)	0.0027	0.0141	0.0103
Echinococcus multilocularis	PRKCA binding protein	0.0027	0.0141	0.0103
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0553	1	1
Schistosoma mansoni	rab3 interacting molecule (rim)-related	0.0027	0.0141	0.0103
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0488	0.0352
Schistosoma mansoni	syntrophin	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Onchocerca volvulus		0.0063	0.0821	0.2079
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0063	0.0821	0.069
Plasmodium falciparum	nitric oxide synthase, putative	0.0553	1	1
Schistosoma mansoni	cell polarity protein	0.0027	0.0141	0.0103
Echinococcus granulosus	NADH cytochrome b5 reductase 3	0.0063	0.0821	0.0786
Echinococcus multilocularis	PDZ domain containing protein GIPC3	0.0027	0.0141	0.0103
Loa Loa (eye worm)	diaphorase	0.0063	0.0821	0.0821
Schistosoma mansoni	multiple pdz domain protein	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0504	0.0504
Loa Loa (eye worm)	DIX domain-containing protein	0.0036	0.0327	0.0327
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0488	0.0451
Echinococcus granulosus	fetal alzheimer antigen falz	0.0024	0.0098	0.006
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0201	0.3412	1
Loa Loa (eye worm)	PDZ-domain-containing protein scribble	0.0027	0.0141	0.0141
Echinococcus granulosus	Partitioning defective 3 protein B	0.0027	0.0141	0.0103
Loa Loa (eye worm)	guanylate kinase	0.0027	0.0141	0.0141
Echinococcus multilocularis	microtubule associated serine:threonine protein	0.0027	0.0141	0.0103
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	segment polarity protein dishevelled	0.0036	0.0327	0.0289
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Echinococcus granulosus	cytochrome b5 reductase 4	0.0063	0.0821	0.0786
Echinococcus multilocularis	multiple pdz domain protein	0.0027	0.0141	0.0103
Schistosoma mansoni	MAGUK homolog	0.0027	0.0141	0.0103
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0553	1	1
Treponema pallidum	flavodoxin	0.0212	0.3605	1
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0036	0.0327	0.0567
Echinococcus multilocularis	multiple pdz domain protein	0.0027	0.0141	0.0103
Brugia malayi	FAD binding domain containing protein	0.0553	1	1
Schistosoma mansoni	cell polarity protein	0.0027	0.0141	0.0103
Brugia malayi	flavodoxin family protein	0.0212	0.3605	0.3514
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0553	1	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0039	0.0368	0.0331
Echinococcus granulosus	peripheral plasma membrane protein CASK	0.0027	0.0141	0.0103
Echinococcus granulosus	segment polarity protein dishevelled	0.0036	0.0327	0.0289
Echinococcus granulosus	pdz domain containing protein	0.0027	0.0141	0.0103
Echinococcus granulosus	Microtubule-associated serine/threonine-protein kinase	0.0027	0.0141	0.0103
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0847	0.0812
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0553	1	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0553	1	1
Schistosoma mansoni	maguk P55 subfamily member 35	0.0027	0.0141	0.0103
Schistosoma mansoni	afadin (af-6 protein)	0.0027	0.0141	0.0103
Schistosoma mansoni	membrane associated guanylate kinase inverted related	0.0027	0.0141	0.0103
Echinococcus multilocularis	MAGUK p55 subfamily	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Loa Loa (eye worm)	gopc protein	0.0027	0.0141	0.0141
Schistosoma mansoni	multiple pdz domain protein	0.0027	0.0141	0.0103
Entamoeba histolytica	type A flavoprotein, putative	0.0212	0.3605	0.5
Echinococcus granulosus	cytochrome b5 reductase 4	0.0063	0.0821	0.0786
Schistosoma mansoni	membrane associated guanylate kinase inverted related	0.0027	0.0141	0.0103
Echinococcus multilocularis	membrane associated guanylate kinase ww and pdz	0.0027	0.0141	0.0103
Echinococcus multilocularis	SH3 and multiple ankyrin repeat domains protein	0.0027	0.0141	0.0103
Chlamydia trachomatis	Na(+)-translocating NADH-quinone reductase subunit F	0.0063	0.0821	0.1153
Loa Loa (eye worm)	protein-tyrosine phosphatase 1	0.0027	0.0141	0.0141
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0027	0.0141	0.0103
Echinococcus multilocularis	55 kDa erythrocyte membrane protein	0.0027	0.0141	0.0103
Echinococcus granulosus	pdz domain containing protein	0.0027	0.0141	0.0103
Echinococcus granulosus	syndecan binding protein syntenin	0.0027	0.0141	0.0103
Giardia lamblia	Nitric oxide synthase, inducible	0.049	0.8823	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0465	0.0465
Schistosoma mansoni	Patj homolog	0.0027	0.0141	0.0103
Loa Loa (eye worm)	RasGEF domain-containing protein	0.0034	0.0274	0.0274
Leishmania major	p450 reductase, putative	0.0553	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0488	0.0488
Echinococcus granulosus	MAGUK p55 subfamily	0.0027	0.0141	0.0103
Schistosoma mansoni	hypothetical protein	0.0027	0.0141	0.0103
Echinococcus multilocularis	pdz domain containing protein	0.0027	0.0141	0.0103
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0063	0.0821	0.0786
Echinococcus multilocularis	syndecan binding protein (syntenin)	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0141	0.0141
Brugia malayi	Bromodomain containing protein	0.0041	0.0416	0.0279
Echinococcus multilocularis	glutamate receptor interacting protein 1	0.0027	0.0141	0.0103
Echinococcus multilocularis	membrane associated guanylate kinase, WW and PDZ	0.0027	0.0141	0.0103
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0553	1	1
Echinococcus granulosus	disks large 3	0.0027	0.0141	0.0103
Echinococcus granulosus	PRKCA binding protein	0.0027	0.0141	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0417	0.0417
Echinococcus granulosus	partitioning defective 3	0.0027	0.0141	0.0103
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0212	0.3605	0.3033
Brugia malayi	DIX domain containing protein	0.0036	0.0327	0.0188
Schistosoma mansoni	lim domain	0.0027	0.0141	0.0103

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 4070 nM	Functional activity against adenosine A2a receptor from rat aorta.	ChEMBL.	7739005
EC50 (functional)	> 10 uM	Functional activity against adenosine A1 receptor from rat atria.	ChEMBL.	7739005
k' (ADMET)	= 0.46	Hydrophobicity index (k'') (RP-HPLC pH 7.5)	ChEMBL.	7739005
Ki (binding)	= 113 nM	Binding affinity against adenosine A2a receptor from rat striatum using [3H]-CGS- 21680 as a radioligand.	ChEMBL.	7739005
Ki (binding)	= 599 nM	Binding affinity against adenosine A1 receptor from rat brain using [3H]-CHA as a radioligand.	ChEMBL.	7739005
Potency ratio (functional)	= 0.007	Anti-aggregatory activity against adenosine A2A receptor from rabbit platelets. Potency ratio was reported with reference to the NECA IC50 of 0.2 uM.	ChEMBL.	7739005
Selectivity (binding)	= 5.3	Selectivity as the ratio of Ki value towards A1 receptor to that of A2a receptor.	ChEMBL.	7739005

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: 150696

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 49033