TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.321 | Formula: C20H12F5N3O
H donors: 0 H acceptors: 2 LogP: 4.64 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1F)c1nc2c(n1)cn(cc2)Cc1ccc(cc1)OC(F)(F)F
InChi: 1S/C20H12F5N3O/c21-15-3-1-2-14(18(15)22)19-26-16-8-9-28(11-17(16)27-19)10-12-4-6-13(7-5-12)29-20(23,24)25/h1-9,11H,10H2
InChiKey: QTYBVTHJXSKUBV-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
Schistosoma mansoni	zinc finger protein	0.0044	0.034	0.0349
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0049	0.0402	0.0386
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0044	0.034	0.0349
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0283	0.0288
Echinococcus multilocularis	methionine synthase reductase	0.0494	0.5654	0.5646
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.08	0.9268	1
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0306	0.3433	0.3506
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0017	0.0018
Echinococcus granulosus	intermediate filament protein	0.0029	0.0157	0.0152
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Leishmania major	oxidoreductase-like protein	0.0091	0.0893	0.0903
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0062	0.0067
Schistosoma mansoni	thyroid hormone receptor	0.0094	0.0924	0.098
Giardia lamblia	Flavohemoprotein lateral transfer candidate	0.0091	0.0893	0.0771
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.034	0.0324
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0306	0.3433	0.3033
Mycobacterium ulcerans	oxidoreductase	0.0091	0.0893	0.0903
Brugia malayi	Nuclear hormone receptor-like 1	0.0094	0.0924	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0402	0.0434
Leishmania major	cytochrome-b5 reductase, putative	0.0091	0.0893	0.0903
Leishmania major	NADH-dependent fumarate reductase-like protein	0.0091	0.0893	0.0903
Entamoeba histolytica	type A flavoprotein, putative	0.0306	0.3433	1
Loa Loa (eye worm)	hypothetical protein	0.08	0.9268	1
Brugia malayi	conserved hypotetical protein	0.0044	0.034	0.0367
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0494	0.5654	0.61
Brugia malayi	intermediate filament protein	0.0029	0.0157	0.017
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.034	0.0349
Trypanosoma brucei	NADH-cytochrome b5 reductase-like protein	0.0091	0.0893	0.0903
Schistosoma mansoni	diflavin oxidoreductase	0.0397	0.4507	0.4854
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0191	0.0207
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.08	0.9268	1
Trichomonas vaginalis	sulfite reductase, putative	0.08	0.9268	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0393	0.0407
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0445	0.048
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0157	0.017
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0091	0.0893	0.0903
Echinococcus granulosus	NADH cytochrome b5 reductase 3	0.0091	0.0893	0.0947
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Schistosoma mansoni	hypothetical protein	0.018	0.1946	0.2086
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Mycobacterium ulcerans	electron transfer protein FdxB	0.0091	0.0893	0.0903
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Mycobacterium ulcerans	flavodoxin oxidoreductase	0.0091	0.0893	0.0903
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0393	0.0407
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0393	0.0377
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Echinococcus granulosus	microtubule associated protein 2	0.0733	0.8483	0.9151
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0094	0.0924	0.098
Mycobacterium tuberculosis	Possible electron transfer protein FdxB	0.0091	0.0893	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0094	0.0924	0.098
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0094	0.0924	0.098
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.034	0.0367
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0044	0.034	0.0324
Echinococcus granulosus	thyroid hormone receptor alpha	0.0044	0.034	0.0349
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0094	0.0924	0.0997
Onchocerca volvulus		0.0094	0.0924	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0246	0.0248
Mycobacterium ulcerans	monooxygenase	0.0091	0.0893	0.0903
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.08	0.9268	1
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.08	0.9268	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Trypanosoma cruzi	p450 reductase, putative	0.08	0.9268	1
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0157	0.0152
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0094	0.0924	0.0909
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0049	0.0402	0.0417
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0062	0.0067
Brugia malayi	photoreceptor-specific nuclear receptor	0.0094	0.0924	0.0997
Brugia malayi	Nuclear hormone receptor E75	0.0044	0.034	0.0367
Brugia malayi	nuclear receptor RXR	0.0049	0.0402	0.0434
Brugia malayi	ecdysone receptor	0.0044	0.034	0.0367
Echinococcus granulosus	methionine synthase reductase	0.0494	0.5654	0.6093
Brugia malayi	orphan nuclear receptor NR2E1	0.0044	0.034	0.0367
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0044	0.034	0.0349
Echinococcus multilocularis	ubiquitin specific protease 41	0.0039	0.0283	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0283	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0306	0.3433	0.3506
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0094	0.0924	0.0997
Loa Loa (eye worm)	cytochrome b5 reductase 4	0.0091	0.0893	0.0963
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0094	0.0924	0.098
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.08	0.9268	1
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Leishmania major	reductase, putative	0.0091	0.0893	0.0903
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0094	0.0924	0.0997
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.08	0.9268	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Entamoeba histolytica	type A flavoprotein, putative	0.0306	0.3433	1
Echinococcus granulosus	neuropeptide receptor A26	0.0491	0.5625	0.6062
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0157	0.017
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0157	0.017
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.08	0.9268	0.9267
Trypanosoma cruzi	nitrate reductase, putative	0.0091	0.0893	0.0903
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0283	0.0267
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0049	0.0402	0.0417
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0094	0.0924	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0402	0.0434
Brugia malayi	Nuclear hormone receptor-like 1	0.0049	0.0402	0.0434
Plasmodium vivax	hypothetical protein, conserved	0.0306	0.3433	0.3033
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0049	0.0402	0.0434
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0091	0.0893	0.0903
Schistosoma mansoni	nuclear hormone receptor	0.0094	0.0924	0.098
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0191	0.0207
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0094	0.0924	0.098
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0094	0.0924	0.0997
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0094	0.0924	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0393	0.0407
Brugia malayi	nuclear receptor NHR-88	0.0044	0.034	0.0367
Echinococcus multilocularis	FTZ F1 alpha	0.0094	0.0924	0.0909
Schistosoma mansoni	lamin	0.0029	0.0157	0.0152
Giardia lamblia	Nitric oxide synthase, inducible	0.0709	0.8194	1
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.08	0.9268	1
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0424	0.0441
Schistosoma mansoni	nuclear receptor	0.0044	0.034	0.0349
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0283	0.024
Leishmania major	nitrate reductase, putative	0.0091	0.0893	0.0903
Echinococcus multilocularis	NADH cytochrome b5 reductase 3	0.0091	0.0893	0.0878
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0393	0.0424
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0094	0.0924	0.098
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0157	0.017
Onchocerca volvulus	Bile acid receptor homolog	0.0094	0.0924	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0094	0.0924	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Loa Loa (eye worm)	steroid hormone receptor	0.0094	0.0924	0.0997
Brugia malayi	Steroid receptor seven-up type 2	0.0094	0.0924	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0151	0.0163
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0017	0.0018
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Echinococcus granulosus	nuclear receptor nhr 48	0.0044	0.034	0.0349
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Leishmania major	cytochrome-b5 reductase, putative	0.0091	0.0893	0.0903
Echinococcus granulosus	neuropeptide s receptor	0.0491	0.5625	0.6062
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0017	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Schistosoma mansoni	hypothetical protein	0.0051	0.0424	0.0441
Echinococcus multilocularis	lamin dm0	0.0029	0.0157	0.0141
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0094	0.0924	0.0997
Trypanosoma cruzi	oxidoreductase-protein, putative	0.0091	0.0893	0.0903
Echinococcus multilocularis	ecdysone induced protein 78C	0.0094	0.0924	0.0909
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.08	0.9268	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0049	0.0402	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0402	0.0434
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Schistosoma mansoni	hypothetical protein	0.018	0.1946	0.2086
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0094	0.0924	0.0997
Brugia malayi	hypothetical protein	0.0044	0.034	0.0367
Echinococcus granulosus	cytochrome b5 reductase 4	0.0091	0.0893	0.0947
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0044	0.034	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0094	0.0924	0.0997
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Schistosoma mansoni	lamin	0.0029	0.0157	0.0152
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0094	0.0924	0.098
Brugia malayi	tailless protein	0.0044	0.034	0.0367
Chlamydia trachomatis	sulfite reductase	0.0494	0.5654	1
Plasmodium vivax	flavodoxin domain containing protein	0.0709	0.8194	0.8717
Echinococcus granulosus	geminin	0.018	0.1946	0.2086
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0403	0.4579	0.4932
Brugia malayi	Cytochrome b5-like Heme/Steroid binding domain containing protein	0.0091	0.0893	0.0963
Echinococcus multilocularis	cytochrome b5 reductase 4	0.0091	0.0893	0.0878
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0094	0.0924	0.098
Echinococcus multilocularis	geminin	0.018	0.1946	0.1933
Echinococcus granulosus	lamin dm0	0.0029	0.0157	0.0152
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0246	0.0266
Brugia malayi	hypothetical protein	0.0049	0.0402	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0094	0.0924	0.098
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0306	0.3433	0.3662
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0094	0.0924	0.0997
Entamoeba histolytica	type A flavoprotein, putative	0.0306	0.3433	1
Onchocerca volvulus		0.0051	0.0424	0.3483
Schistosoma mansoni	microtubule-associated protein tau	0.0733	0.8483	0.9151
Brugia malayi	hypothetical protein	0.0251	0.2788	0.3008
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Leishmania major	p450 reductase, putative	0.08	0.9268	1
Toxoplasma gondii	flavodoxin domain-containing protein	0.0397	0.4507	1
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0039	0.0283	0.0288
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0062	0.0067
Loa Loa (eye worm)	diaphorase	0.0091	0.0893	0.0963
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Brugia malayi	nuclear hormone receptor	0.0094	0.0924	0.0997
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0039	0.0283	0.0288
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0062	0.0067
Echinococcus granulosus	cytochrome b5 reductase 4	0.0091	0.0893	0.0947
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0017	0.0018
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0039	0.0283	0.0305
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Leishmania major	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Trypanosoma cruzi	p450 reductase, putative	0.0091	0.0893	0.0903
Brugia malayi	nuclear receptor NHR-88	0.0094	0.0924	0.0997
Onchocerca volvulus		0.0044	0.034	0.2383
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0094	0.0924	0.0909
Loa Loa (eye worm)	hypothetical protein	0.0251	0.2788	0.3008
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0306	0.3433	0.3033
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Mycobacterium ulcerans	oxygenase	0.0091	0.0893	0.0903
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0306	0.3433	0.3662
Brugia malayi	hypothetical protein	0.0044	0.034	0.0367
Schistosoma mansoni	nuclear receptor	0.0044	0.034	0.0349
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0044	0.034	0.0349
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0044	0.034	0.0324
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0091	0.0893	0.0903
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0306	0.3433	0.3662
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0094	0.0924	0.0909
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0044	0.034	0.0367
Brugia malayi	diaphorase	0.0091	0.0893	0.0963
Schistosoma mansoni	RAR-like nuclear receptor	0.0094	0.0924	0.098
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0094	0.0924	0.0909
Loa Loa (eye worm)	DR-78	0.0044	0.034	0.0367
Echinococcus multilocularis	musashi	0.0029	0.0157	0.0141
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0709	0.8194	0.8804
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.08	0.9268	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Echinococcus multilocularis	survival motor neuron protein 1	0.0251	0.2788	0.2776
Schistosoma mansoni	cytochrome P450 reductase	0.08	0.9268	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0094	0.0924	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0094	0.0924	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.08	0.9268	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0094	0.0924	0.0997
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0094	0.0924	0.0997
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0094	0.0924	0.098
Brugia malayi	FAD binding domain containing protein	0.08	0.9268	1
Entamoeba histolytica	type A flavoprotein, putative	0.0306	0.3433	1
Echinococcus multilocularis	neuropeptide s receptor	0.0491	0.5625	0.5617
Treponema pallidum	flavodoxin	0.0306	0.3433	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0044	0.034	0.0349
Trypanosoma cruzi	reductase, putative	0.0091	0.0893	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Echinococcus multilocularis	microtubule associated protein 2	0.0733	0.8483	0.848
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0044	0.034	0.0349
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.08	0.9268	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0246	0.0266
Loa Loa (eye worm)	flavodoxin family protein	0.0306	0.3433	0.3704
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0094	0.0924	0.0997
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0306	0.3433	0.3506
Brugia malayi	hypothetical protein	0.0049	0.0402	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0924	0.0997
Entamoeba histolytica	type A flavoprotein, putative	0.0306	0.3433	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0393	0.0407
Leishmania major	hypothetical protein, conserved	0.0306	0.3433	0.3662
Brugia malayi	nuclear hormone receptor	0.0044	0.034	0.0367
Trypanosoma cruzi	cytochrome-b5 reductase, putative	0.0091	0.0893	0.0903
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0445	0.048
Mycobacterium tuberculosis	Possible oxygenase	0.0091	0.0893	0.5
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.08	0.9268	1
Schistosoma mansoni	cytochrome B5	0.0091	0.0893	0.0947
Echinococcus granulosus	ecdysone induced protein 78C	0.0094	0.0924	0.098
Leishmania major	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0044	0.034	0.0367
Trypanosoma brucei	nitrate reductase, putative	0.0091	0.0893	0.0903
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.034	0.0349
Echinococcus multilocularis	nuclear receptor nhr 48	0.0044	0.034	0.0324
Echinococcus granulosus	survival motor neuron protein 1	0.0251	0.2788	0.2995
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0424	0.0458
Trypanosoma brucei	NADH-dependent fumarate reductase	0.0091	0.0893	0.0903
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Brugia malayi	ecdysteroid receptor	0.0094	0.0924	0.0997
Onchocerca volvulus		0.0044	0.034	0.2383
Brugia malayi	nuclear hormone receptor family member odr-7	0.0044	0.034	0.0367
Trypanosoma brucei	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0283	0.024
Brugia malayi	nuclear receptor NHR-67	0.0044	0.034	0.0367
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0094	0.0924	0.098
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0039	0.0283	0.0288
Brugia malayi	steroid hormone receptor	0.0094	0.0924	0.0997
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0044	0.034	0.2383
Onchocerca volvulus		0.0091	0.0893	0.9598
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0094	0.0924	0.0997
Brugia malayi	FAD binding domain containing protein	0.0494	0.5654	0.61
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0393	0.0377
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0094	0.0924	0.0997
Echinococcus granulosus	FTZ F1 alpha	0.0094	0.0924	0.098
Echinococcus multilocularis	lamin	0.0029	0.0157	0.0141
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.08	0.9268	0.9267
Echinococcus multilocularis	neuropeptide receptor A26	0.0491	0.5625	0.5617
Brugia malayi	nuclear receptor RXR	0.0044	0.034	0.0367
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0039	0.0283	0.024
Mycobacterium tuberculosis	Probable oxidoreductase	0.0091	0.0893	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0393	0.0424
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0044	0.034	0.2383
Loa Loa (eye worm)	FAD binding domain-containing protein	0.08	0.9268	1
Leishmania major	cytochrome P450 reductase, putative	0.0709	0.8194	0.8833
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0094	0.0924	0.098
Echinococcus granulosus	ubiquitin specific protease 41	0.0039	0.0283	0.0288
Giardia lamblia	Hypothetical protein	0.0709	0.8194	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0094	0.0924	0.098
Schistosoma mansoni	NADH-cytochrome B5 reductase	0.0091	0.0893	0.0947
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0044	0.034	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0402	0.0434
Trypanosoma brucei	oxidoreductase-protein, putative	0.0091	0.0893	0.0903
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0393	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0402	0.0434
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0445	0.048
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0094	0.0924	0.098
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0094	0.0924	0.0909
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0306	0.3433	0.3662
Echinococcus granulosus	lamin	0.0029	0.0157	0.0152
Brugia malayi	flavodoxin family protein	0.0306	0.3433	0.3704
Mycobacterium ulcerans	flavodoxin reductase Hmp	0.0091	0.0893	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Plasmodium falciparum	nitric oxide synthase, putative	0.08	0.9268	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0094	0.0924	0.0909
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0094	0.0924	0.0997
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0094	0.0924	0.0997
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0494	0.5654	0.6093
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Loa Loa (eye worm)	hypothetical protein	0.0044	0.034	0.0367
Mycobacterium tuberculosis	Hypothetical oxidoreductase	0.0091	0.0893	0.5
Toxoplasma gondii	flavodoxin domain-containing protein	0.0397	0.4507	1
Trypanosoma cruzi	NADH-dependent fumarate reductase, putative	0.0091	0.0893	0.0903
Mycobacterium tuberculosis	Probable monooxygenase	0.0091	0.0893	0.5
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0044	0.034	0.0367
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0039	0.0283	0.024
Loa Loa (eye worm)	nuclear hormone receptor	0.0044	0.034	0.0367
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0044	0.034	0.0349
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0049	0.0402	0.0417
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0044	0.034	0.0324
Trypanosoma cruzi	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Schistosoma mansoni	nuclear hormone receptor	0.0044	0.034	0.0349
Loa Loa (eye worm)	CYP4Cod1	0.0021	0.0062	0.0067
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0094	0.0924	0.0997
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0445	0.048
Trypanosoma brucei	NADH-cytochrome b5 reductase, putative	0.0091	0.0893	0.0903
Brugia malayi	flavodoxin family protein	0.08	0.9268	1
Schistosoma mansoni	coup transcription factor	0.0094	0.0924	0.098
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0306	0.3433	0.3506
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0039	0.0283	0.0267
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0094	0.0924	0.0997
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0094	0.0924	0.0997
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0094	0.0924	0.098
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0094	0.0924	0.098

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 81 uM	Cytotoxicity against Huh 5-2 cells	ChEMBL.	17656093
CC50 (ADMET)	> 100 uM	Cytotoxicity against MDBK cells	ChEMBL.	17656093
EC50 (functional)	= 0.2 uM	Antiviral activity against BVDV in MDBK cells	ChEMBL.	17656093
EC50 (functional)	= 0.2 uM	Antiviral activity against HCV in Huh 5-2 cells	ChEMBL.	17656093
Ratio CC50/EC50 (functional)	= 405	Selectivity index, ratio of CC50 for Huh 5-2 cells to EC50 for HCV	ChEMBL.	17656093
Ratio CC50/EC50 (functional)	> 500	Selectivity index, ratio of CC50 for MDBK cells to EC50 for BVDV	ChEMBL.	17656093

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: CHEMBL396486

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 431611