TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 324.352 | Formula: C18H17FN4O
H donors: 1 H acceptors: 2 LogP: 3.28 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCNc1ccc2c3c1c(=O)c1cc(F)ccc1n3cn2)C
InChi: 1S/C18H17FN4O/c1-22(2)8-7-20-13-4-5-14-17-16(13)18(24)12-9-11(19)3-6-15(12)23(17)10-21-14/h3-6,9-10,20H,7-8H2,1-2H3
InChiKey: WAIGLWXPISVSSN-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	NAD(P)H dehydrogenase, quinone 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Giardia lamblia	NADPH oxidoreductase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Giardia lamblia	NADPH oxidoreductase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Giardia lamblia	NADPH oxidoreductase, putative	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380
Trichomonas vaginalis	conserved hypothetical protein	Get druggable targets OG5_130380	All targets in OG5_130380

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	NAD(P)H dehydrogenase, quinone 2	231 aa	213 aa	26.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.08	0.08
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0836	0.0788
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0303	1	1
Brugia malayi	RNA, U transporter 1	0.0081	0.2269	0.2818
Loa Loa (eye worm)	Smad1	0.0017	0.0047	0.0047
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus multilocularis	Polycystic kidney disease protein	0.0021	0.0195	0.0171
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1093	0.1071
Brugia malayi	MH1 domain containing protein	0.0017	0.0047	0.0059
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0392	0.3143
Toxoplasma gondii	ABC1 family protein	0.0038	0.08	1
Onchocerca volvulus		0.0038	0.08	0.0737
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0226	0.7323	0.7323
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0032	0.059	0.6556
Brugia malayi	Pre-SET motif family protein	0.0032	0.059	0.0732
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0392	0.3143
Onchocerca volvulus		0.0032	0.059	0.0481
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0449	0.0426
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0466	0.0443
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0392	0.7813
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0195	0.0171
Brugia malayi	MH2 domain containing protein	0.0017	0.0047	0.0059
Echinococcus multilocularis	smad	0.0017	0.0047	0.0023
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1093	0.1071
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0024	0.0024
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.08	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0072	0.1972	0.2169
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus multilocularis	musashi	0.0029	0.0466	0.0443
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0195	0.0171
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0263	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0836	1
Schistosoma mansoni	lipoxygenase	0.0059	0.1514	0.1493
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1239	0.1539
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus multilocularis	lamin dm0	0.0029	0.0466	0.0443
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0449	0.4022
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0024	0.0298	0.0133
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.08	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0836	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0448	0.0448
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0195	0.0195
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0024	0.0024
Trichomonas vaginalis	set domain proteins, putative	0.0257	0.8409	1
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0024	0.0298	0.1689
Echinococcus multilocularis	snurportin 1	0.0303	1	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.08	0.0994
Echinococcus granulosus	ubiquitin specific protease 41	0.004	0.0836	0.0814
Schistosoma mansoni	hypothetical protein	0.0021	0.0195	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0466	0.0466
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1093	0.1071
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.004	0.0836	0.0814
Echinococcus granulosus	mothers against decapentaplegic 5	0.0017	0.0047	0.0023
Echinococcus granulosus	Polycystic kidney disease protein	0.0021	0.0195	0.0171
Onchocerca volvulus		0.0038	0.08	0.0737
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1239	0.1539
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0047	0.0023
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0096	0.2808	0.3186
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.08	0.0744
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0024	0.0298	0.1689
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0263	0.1141
Mycobacterium leprae	Probable lipase LipE	0.0038	0.08	0.5
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0449	0.4022
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0466	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0038	0.08	0.08
Loa Loa (eye worm)	hypothetical protein	0.0038	0.08	0.08
Brugia malayi	MH1 domain containing protein	0.0017	0.0047	0.0059
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0047	0.0047
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.08	0.0778
Echinococcus granulosus	lamin	0.0029	0.0466	0.0443
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0449	0.4261
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0047	0.0047
Brugia malayi	beta-lactamase	0.0038	0.08	0.0994
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0024	0.0298	0.0133
Onchocerca volvulus		0.0029	0.0466	0.033
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1093	0.1093
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.059	0.0567
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Leishmania major	hypothetical protein, conserved	0.0027	0.0392	0.3143
Trichomonas vaginalis	esterase, putative	0.0038	0.08	0.0744
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.004	0.0836	0.0814
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0017	0.0047	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1239	0.1239
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0017	0.0047	0.0023
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.08	0.0778
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0392	0.3329
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Schistosoma mansoni	Smad4	0.0017	0.0047	0.0023
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0466	0.0579
Brugia malayi	Importin beta-1 subunit	0.0028	0.0449	0.0558
Schistosoma mansoni	ran	0.0021	0.0189	0.0165
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.08	0.944
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0024	0.0298	0.0133
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.004	0.0836	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0032	0.059	0.0567
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0449	0.0426
Brugia malayi	Smad1	0.0017	0.0047	0.0059
Schistosoma mansoni	rab6-interacting	0.0021	0.0195	0.0171
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0836	1
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Brugia malayi	intermediate filament protein	0.0029	0.0466	0.0579
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0032	0.059	0.0567
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.004	0.0836	0.0814
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0392	0.3143
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1093	0.1071
Schistosoma mansoni	lamin	0.0029	0.0466	0.0443
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Schistosoma mansoni	lamin	0.0029	0.0466	0.0443
Schistosoma mansoni	rab6-interacting	0.0021	0.0195	0.0171
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1093	0.1357
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.059	0.0567
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.08	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1093	0.1071
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0392	0.3329
Schistosoma mansoni	polycystin 1-related	0.0021	0.0195	0.0171
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.004	0.0836	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0247	0.8053	0.8053
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0263	0.009
Echinococcus multilocularis	RUN	0.0021	0.0195	0.0171
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus multilocularis	lamin	0.0029	0.0466	0.0443
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1093	0.1071
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.08	0.0744
Brugia malayi	hypothetical protein	0.0017	0.0063	0.0078
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0024	0.003
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0032	0.059	0.0567
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.004	0.0836	0.0814
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1093	0.1071
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0392	0.0392
Plasmodium falciparum	LCCL domain-containing protein	0.0021	0.0195	0.0242
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.08	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Brugia malayi	beta-lactamase family protein	0.0038	0.08	0.0994
Echinococcus granulosus	Smad4	0.0017	0.0047	0.0023
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0246	0.8011	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0096	0.2808	0.3186
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.08	0.0778
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0263	0.009
Entamoeba histolytica	hypothetical protein	0.0024	0.0298	0.1689
Brugia malayi	MH2 domain containing protein	0.0017	0.0047	0.0059
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0059	0.1514	0.1493
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0189	0.0165
Echinococcus multilocularis	Smad4	0.0017	0.0047	0.0023
Onchocerca volvulus		0.0257	0.8409	1
Plasmodium vivax	multidomain scavenger receptor, putative	0.0021	0.0195	0.0103
Schistosoma mansoni	importin beta-1	0.0028	0.0449	0.0426
Giardia lamblia	NADPH oxidoreductase, putative	0.0096	0.2808	1
Brugia malayi	hypothetical protein	0.0027	0.0392	0.0487
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.08	0.0744
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0017	0.0047	0.0023
Onchocerca volvulus		0.0038	0.08	0.0737
Schistosoma mansoni	hypothetical protein	0.0167	0.5263	0.5251
Giardia lamblia	NADPH oxidoreductase, putative	0.0096	0.2808	1
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.004	0.0836	0.0814
Schistosoma mansoni	hypothetical protein	0.0303	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.08	0.08
Loa Loa (eye worm)	beta-lactamase	0.0038	0.08	0.08
Mycobacterium ulcerans	lipase LipD	0.0038	0.08	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.08	0.0744
Brugia malayi	beta-lactamase family protein	0.0038	0.08	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0449	0.0449
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0038	0.08	0.08
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus granulosus	geminin	0.0167	0.5263	0.5251
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0466	0.0466
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0677	0.0677
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.08	0.944
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0047	0.0023
Brugia malayi	MH2 domain containing protein	0.0247	0.8053	1
Schistosoma mansoni	smad1 5 8 and	0.0017	0.0047	0.0023
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.004	0.0836	1
Plasmodium falciparum	importin beta, putative	0.0028	0.0449	1
Echinococcus granulosus	intermediate filament protein	0.0029	0.0466	0.0443
Schistosoma mansoni	smad	0.0017	0.0047	0.0023
Schistosoma mansoni	loxhd1	0.0021	0.0195	0.0171
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0024	0.003
Giardia lamblia	NADPH oxidoreductase, putative	0.0096	0.2808	1
Echinococcus granulosus	lamin dm0	0.0029	0.0466	0.0443
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0021	0.0195	0.0171
Loa Loa (eye worm)	hypothetical protein	0.004	0.0836	0.0836
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.08	0.944
Brugia malayi	hypothetical protein	0.0021	0.0195	0.0242
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Schistosoma mansoni	ran	0.0021	0.0189	0.0165
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0096	0.2808	0.3186
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.004	0.0836	0.1039
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.08	0.0778
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0263	0.009
Echinococcus multilocularis	geminin	0.0167	0.5263	0.5251
Echinococcus granulosus	histone lysine methyltransferase setb	0.0032	0.059	0.0567
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus granulosus	lipoxygenase domain containing protein	0.0021	0.0195	0.0171
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0449	0.4261
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0677	0.084
Leishmania major	hypothetical protein, conserved	0.0038	0.08	0.944
Loa Loa (eye worm)	hypothetical protein	0.0038	0.08	0.08
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0032	0.059	0.0567
Loa Loa (eye worm)	doublecortin family protein	0.0021	0.0195	0.0195
Schistosoma mansoni	hypothetical protein	0.0035	0.0677	0.0654
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0189	0.0234
Mycobacterium ulcerans	hypothetical protein	0.0038	0.08	0.5
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0548	0.0525
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1239	0.1239
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.0836	0.0788
Plasmodium vivax	SET domain protein, putative	0.0032	0.059	0.6556
Loa Loa (eye worm)	hypothetical protein	0.0032	0.059	0.059
Brugia malayi	Doublecortin family protein	0.0021	0.0195	0.0242
Loa Loa (eye worm)	transcription factor SMAD2	0.0247	0.8053	0.8053
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.004	0.0836	0.0788
Schistosoma mansoni	hypothetical protein	0.0167	0.5263	0.5251
Brugia malayi	Pre-SET motif family protein	0.0226	0.7323	0.9094
Onchocerca volvulus		0.0029	0.0466	0.033
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.08	0.0744
Mycobacterium ulcerans	beta-lactamase	0.0038	0.08	0.5
Echinococcus granulosus	smad	0.0017	0.0047	0.0023
Schistosoma mansoni	lipoxygenase	0.0021	0.0195	0.0171
Echinococcus multilocularis	ubiquitin specific protease 41	0.004	0.0836	0.0814
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0189	0.0165
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0392	0.7813
Trichomonas vaginalis	modulator of drug activity B, putative	0.0024	0.0298	0.0133
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0298	0.0133
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.004	0.0836	0.2474
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0059	0.1514	0.1493
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0189	0.0189
Echinococcus granulosus	RUN	0.0021	0.0195	0.0171
Brugia malayi	hypothetical protein	0.0021	0.0195	0.0242
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0017	0.0047	0.0023
Entamoeba histolytica	hypothetical protein	0.0023	0.0263	0.1141
Loa Loa (eye worm)	hypothetical protein	0.0038	0.08	0.08
Trichomonas vaginalis	conserved hypothetical protein	0.0096	0.2808	0.3186

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 0.66 nM	Cytotoxicity against human HCT116 cells after 96 hrs by MTT assay	ChEMBL.	21859103
IC50 (ADMET)	= 2.9 nM	Cytotoxicity against human HCT116 cells after 24 hrs by MTT assay	ChEMBL.	21859103
IC50 (binding)	= 97 nM	Inhibition of human recombinant NQO2 assessed as reduction of DCPIP by spectrophotometry	ChEMBL.	21859103

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21859103

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: CHEMBL1836795

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1137839