TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 394.381 | Formula: C20H18N4O5
H donors: 0 H acceptors: 4 LogP: 1.98 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc2c(c1)n1ncc(c1n[n+]2[O-])C(=O)OCc1ccccc1OC
InChi: 1S/C20H18N4O5/c1-3-28-14-8-9-16-17(10-14)23-19(22-24(16)26)15(11-21-23)20(25)29-12-13-6-4-5-7-18(13)27-2/h4-11H,3,12H2,1-2H3
InChiKey: ZLQGJZCNNJOHCH-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
Plasmodium vivax	lysine--tRNA ligase, putative	0.005	0.0371	0.0201
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0224	0.2232	0.4834
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0417	0.1869
Plasmodium falciparum	lysine--tRNA ligase	0.005	0.0371	0.0201
Trypanosoma cruzi	hexose transporter, putative	0.0069	0.058	0.8107
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0224	0.2232	0.4834
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0174	0.0778
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.005	0.0371	0.3046
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0069	0.0571	0.0404
Onchocerca volvulus		0.0031	0.0174	0.5
Schistosoma mansoni	sugar transporter	0.0031	0.0174	0.0778
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0069	0.057	0.2555
Onchocerca volvulus		0.0031	0.0174	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0555	0.2489
Toxoplasma gondii	lysine-tRNA ligase	0.005	0.0371	0.0308
Leishmania major	glucose transporter, lmgt2	0.0069	0.058	0.8107
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0069	0.058	0.8107
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0067	0.0555	0.1203
Onchocerca volvulus		0.0031	0.0174	0.5
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0069	0.0571	0.0404
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0069	0.0571	0.0617
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0031	0.0174	0.0376
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0067	0.0555	0.9253
Brugia malayi	major facilitator superfamily protein	0.0031	0.0174	0.0778
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0069	0.0571	0.0404
Onchocerca volvulus		0.0031	0.0174	0.5
Trypanosoma cruzi	hexose transporter, putative	0.0038	0.0243	0.1383
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0042	0.0291	1
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0031	0.0174	0.0778
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0031	0.0174	0.0778
Echinococcus multilocularis	lysyl tRNA synthetase	0.005	0.0371	0.0805
Trypanosoma cruzi	hexose transporter	0.0069	0.058	0.8107
Toxoplasma gondii	facilitative glucose transporter GT1	0.0224	0.2232	0.3201
Trypanosoma cruzi	hexose transporter, putative	0.0069	0.058	0.8107
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0067	0.0555	0.2489
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0069	0.0571	0.0617
Brugia malayi	Sugar transporter family protein	0.0031	0.0174	0.0778
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0189	0.0848
Giardia lamblia	Lysyl-tRNA synthetase	0.005	0.0371	0.5182
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0069	0.057	0.1235
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0067	0.0555	0.2489
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0078	0.0674	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Schistosoma mansoni	sugar transporter	0.0031	0.0174	0.0778
Echinococcus granulosus	solute carrier family 22	0.0031	0.0174	0.0376
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Trichomonas vaginalis	sugar transporter, putative	0.0069	0.058	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0044	0.0306	0.0641
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0069	0.057	0.1235
Onchocerca volvulus		0.0031	0.0174	0.5
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0069	0.058	0.8107
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0069	0.0571	0.0404
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.005	0.0371	1
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0069	0.0571	0.0404
Leishmania major	lysyl-tRNA synthetase, putative	0.005	0.0371	0.395
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.005	0.0371	0.395
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0031	0.0174	0.2954
Treponema pallidum	prolyl-tRNA synthetase	0.0024	0.0091	0.5
Schistosoma mansoni	glucose transport protein	0.0224	0.2232	1
Loa Loa (eye worm)	hypothetical protein	0.0169	0.164	0.735
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0078	0.0674	0.0779
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Echinococcus granulosus	calcium dependent protein kinase	0.0064	0.0525	0.1137
Schistosoma mansoni	glucose transport protein	0.0224	0.2232	1
Brugia malayi	hypothetical protein	0.0031	0.0174	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Trichomonas vaginalis	glucose transporter, putative	0.0069	0.058	0.1973
Onchocerca volvulus		0.0031	0.0174	0.5
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0067	0.0555	0.2489
Plasmodium vivax	CDK-related protein kinase 6, putative	0.095	1	1
Echinococcus multilocularis	General substrate transporter	0.0192	0.1895	0.4104
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0031	0.0174	0.2954
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Trichomonas vaginalis	conserved hypothetical protein	0.0224	0.2232	1
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.058	0.1973
Loa Loa (eye worm)	hypothetical protein	0.0069	0.057	0.2555
Mycobacterium ulcerans	integral membrane transport protein	0.0031	0.0174	0.2954
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0224	0.2232	0.4834
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0189	0.0848
Schistosoma mansoni	lysyl-tRNA synthetase	0.005	0.0371	0.1665
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Onchocerca volvulus		0.0031	0.0174	0.5
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0031	0.0174	0.0376
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0031	0.0174	0.0778
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0224	0.2232	0.4834
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.058	0.1973
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0078	0.0674	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0069	0.0571	0.0617
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0067	0.0555	0.1855
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0069	0.057	0.1235
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0174	0.0778
Schistosoma mansoni	protein kinase	0.0069	0.057	0.2555
Brugia malayi	Major Facilitator Superfamily protein	0.0031	0.0174	0.0778
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0352	0.1578
Trichomonas vaginalis	CAMK family protein kinase	0.0069	0.057	0.1927
Onchocerca volvulus		0.0031	0.0174	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Echinococcus multilocularis	neuropeptide s receptor	0.0447	0.4617	1
Brugia malayi	major facilitator superfamily protein	0.0031	0.0174	0.0778
Onchocerca volvulus		0.0031	0.0174	0.5
Chlamydia trachomatis	lysine--tRNA ligase	0.005	0.0371	1
Onchocerca volvulus		0.0031	0.0174	0.5
Onchocerca volvulus		0.0031	0.0174	0.5
Echinococcus granulosus	solute carrier family 22	0.0031	0.0174	0.0376
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Onchocerca volvulus	Putative transporter	0.0031	0.0174	0.5
Entamoeba histolytica	protein kinase, putative	0.0069	0.057	1
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0028	0.0132	0.0591
Schistosoma mansoni	serine/threonine protein kinase	0.0069	0.057	0.2555
Echinococcus granulosus	neuropeptide s receptor	0.0447	0.4617	1
Brugia malayi	Sugar transporter family protein	0.0224	0.2232	1
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0042	0.0291	1
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0224	0.2232	0.4834
Echinococcus multilocularis	neuropeptide receptor A26	0.0447	0.4617	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0224	0.2232	0.4834
Schistosoma mansoni	protein kinase	0.0069	0.057	0.2555
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0031	0.0174	0.0376
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0067	0.0555	0.1203
Plasmodium vivax	proline--tRNA ligase, putative	0.0078	0.0674	0.051
Brugia malayi	Cam kinase protein 1	0.0069	0.057	0.2555
Schistosoma mansoni	protein kinase	0.0069	0.057	0.2555
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0421	0.1885
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0067	0.0555	0.2489
Schistosoma mansoni	lysyl-tRNA synthetase	0.005	0.0371	0.1665
Onchocerca volvulus		0.0031	0.0174	0.5
Trichomonas vaginalis	glucose transporter, putative	0.0069	0.058	0.1973
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0174	0.0376
Loa Loa (eye worm)	sugar transporter	0.0031	0.0174	0.0778
Echinococcus multilocularis	small conductance calcium activated potassium	0.0169	0.164	0.3552
Trypanosoma cruzi	hexose transporter, putative	0.0069	0.058	0.8107
Schistosoma mansoni	calcium-activated potassium channel	0.0169	0.164	0.735
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0174	0.0376
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0352	0.1578
Onchocerca volvulus		0.0031	0.0174	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0069	0.057	0.1235
Echinococcus granulosus	synaptic vesicle 2 protein	0.0031	0.0174	0.0376
Loa Loa (eye worm)	sugar transporter	0.0224	0.2232	1
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0174	0.0376
Leishmania major	glucose transporter, lmgt3	0.0069	0.058	0.8107
Leishmania major	protein kinase, putative	0.0069	0.057	0.7919
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0069	0.0571	0.0404
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0555	0.2489
Schistosoma mansoni	calcium-activated potassium channel	0.0109	0.1	0.4483
Trichomonas vaginalis	sugar transporter, putative	0.0069	0.058	0.1973
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.005	0.0371	0.395
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0078	0.0674	1
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0069	0.0571	0.0404
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0069	0.057	0.2555
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.005	0.0371	0.0961
Loa Loa (eye worm)	hypothetical protein	0.0057	0.045	0.2017
Echinococcus granulosus	small conductance calcium activated potassium	0.0169	0.164	0.3552
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0067	0.0555	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0069	0.058	0.8107
Leishmania major	glucose transporter, lmgt1	0.0069	0.058	0.8107
Plasmodium falciparum	hexose transporter	0.0224	0.2232	0.2094
Echinococcus multilocularis	solute carrier family 22	0.0031	0.0174	0.0376
Onchocerca volvulus		0.0031	0.0174	0.5
Plasmodium falciparum	proline--tRNA ligase	0.0078	0.0674	0.051
Brugia malayi	Sugar transporter family protein	0.0031	0.0174	0.0778
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0362	0.3706	0.3595
Schistosoma mansoni	glucose transporter	0.0031	0.0174	0.0778
Trichomonas vaginalis	sugar transporter, putative	0.0069	0.058	0.1973
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0078	0.0674	1
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0362	0.3706	0.3595
Schistosoma mansoni	glucose transport protein	0.0224	0.2232	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0069	0.0571	0.0404
Echinococcus granulosus	solute carrier family 22	0.0031	0.0174	0.0376
Echinococcus granulosus	neuropeptide receptor A26	0.0447	0.4617	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Echinococcus granulosus	General substrate transporter	0.0192	0.1895	0.4104
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0069	0.057	0.1235
Echinococcus granulosus	solute carrier family 22	0.0031	0.0174	0.0376
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Trypanosoma brucei	glucose transporter, putative	0.0069	0.058	0.8107
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0362	0.3706	0.5495
Toxoplasma gondii	protein kinase, putative	0.0632	0.6602	1
Trypanosoma brucei	glucose transporter 1E	0.0069	0.058	0.8107
Mycobacterium ulcerans	sugar transporter	0.0031	0.0174	0.2954
Schistosoma mansoni	hypothetical protein	0.0224	0.2232	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0352	0.1578
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0031	0.0174	0.5
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0224	0.2232	0.4834
Giardia lamblia	Prolyl-tRNA synthetase	0.0067	0.0555	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0069	0.057	0.1235
Schistosoma mansoni	sugar transporter	0.0031	0.0174	0.0778
Onchocerca volvulus		0.0031	0.0174	0.5
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.005	0.0371	1
Brugia malayi	hypothetical protein	0.0031	0.0174	0.0778
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0387	0.1735
Echinococcus granulosus	lysyl tRNA synthetase	0.005	0.0371	0.0805
Schistosoma mansoni	hypothetical protein	0.0169	0.164	0.735
Onchocerca volvulus		0.0031	0.0174	0.5
Brugia malayi	lysyl-tRNA synthetase	0.005	0.0371	0.1665
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0224	0.2232	0.4834
Loa Loa (eye worm)	hypothetical protein	0.005	0.0371	0.1665
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Trypanosoma brucei	glucose transporter 2A	0.0069	0.058	0.8107
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0069	0.057	0.1235
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0069	0.057	0.7919
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0069	0.057	0.2555
Schistosoma mansoni	sugar transporter	0.0031	0.0174	0.0778
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0069	0.057	0.1235
Plasmodium vivax	hexose transporter	0.0224	0.2232	0.2094
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0069	0.058	0.8107
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0069	0.0571	0.0404
Plasmodium falciparum	protein kinase 7	0.0632	0.6602	0.6542
Schistosoma mansoni	hypothetical protein	0.0033	0.0189	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0078	0.0674	1
Entamoeba histolytica	protein kinase, putative	0.0069	0.057	1
Brugia malayi	hypothetical protein	0.0031	0.0174	0.0778
Echinococcus multilocularis	calcium dependent protein kinase	0.0064	0.0525	0.1137
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0174	0.0778
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0352	0.1578

Activities

No activities found for this compound.

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: CHEMBL550547

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1040957