TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 373.362 | Formula: C21H15N3O4
H donors: 1 H acceptors: 4 LogP: 4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1C(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]
InChi: 1S/C21H15N3O4/c25-20(15-8-2-1-3-9-15)17-11-5-6-12-18(17)21(26)23-22-14-16-10-4-7-13-19(16)24(27)28/h1-14H,(H,23,26)/b22-14+
InChiKey: COYBTIIEFFUGON-HYARGMPZSA-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
Trypanosoma brucei	trypanothione reductase	0.0049	0.0235	0.0199
Loa Loa (eye worm)	hypothetical protein	0.1345	1	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0025	0.0056	0.002
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0416	0.0381
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0027	0.0069	0.0033
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0023	0.0036	0.5
Brugia malayi	cytoplasmic intermediate filament protein	0.0028	0.0077	0.0449
Schistosoma mansoni	hypothetical protein	0.0073	0.0416	0.0381
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.067	0.3934
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.0263	0.0228
Onchocerca volvulus		0.0052	0.026	0.0225
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0027	0.0069	0.0033
Brugia malayi	UBASH3A protein homolog	0.0023	0.0036	0.0212
Mycobacterium ulcerans	hypothetical protein	0.0794	0.5846	1
Treponema pallidum	phosphoglyceromutase	0.0023	0.0036	0.5
Brugia malayi	Pre-SET motif family protein	0.0027	0.0069	0.0403
Loa Loa (eye worm)	STAT protein	0.0143	0.0942	0.0909
Loa Loa (eye worm)	thioredoxin reductase	0.0049	0.0235	0.0199
Trypanosoma cruzi	trypanothione reductase, putative	0.0049	0.0235	0.0199
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.012	0.0703
Plasmodium falciparum	glutathione reductase	0.0049	0.0235	1
Echinococcus granulosus	neuropeptide s receptor	0.0482	0.3493	0.3469
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0263	0.1573
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.0263	0.0228
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.06	0.0566
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.06	0.0566
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0049	0.0235	0.2592
Brugia malayi	MAP kinase sur-1	0.0053	0.0263	0.1546
Schistosoma mansoni	lamin	0.0052	0.026	0.0225
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0027	0.0069	0.0033
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0244	0.1704	0.1674
Echinococcus granulosus	thioredoxin glutathione reductase	0.0049	0.0235	0.0199
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0143	0.0942	0.5529
Loa Loa (eye worm)	hypothetical protein	0.1322	0.9829	0.9828
Giardia lamblia	Hypothetical protein	0.0794	0.5846	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0189	0.1285	0.1254
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.1345	1	1
Brugia malayi	follicle stimulating hormone receptor	0.0244	0.1704	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0027	0.0069	0.0033
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0028	0.0077	0.0041
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0027	0.0069	0.0033
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0053	0.0263	0.0228
Brugia malayi	Intermediate filament tail domain containing protein	0.0052	0.026	0.1525
Trypanosoma brucei	protein kinase, putative	0.0053	0.0263	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0107	0.067	0.0637
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0112	0.0708	0.8772
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.012	0.0084
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.034	0.0523
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1345	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.0263	0.0228
Giardia lamblia	Hypothetical protein	0.0794	0.5846	1
Leishmania major	hypothetical protein, conserved	0.0028	0.0074	0.0038
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1322	0.9829	0.9828
Echinococcus granulosus	neuropeptide receptor A26	0.0482	0.3493	0.3469
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.034	0.0305
Echinococcus multilocularis	lamin dm0	0.0052	0.026	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0069	0.0033
Echinococcus multilocularis	geminin	0.0517	0.3759	0.3736
Onchocerca volvulus		0.0027	0.0069	0.0033
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0574	0.419	0.4169
Brugia malayi	Pre-SET motif family protein	0.0189	0.1285	0.7543
Loa Loa (eye worm)	hypothetical protein	0.0771	0.5675	0.566
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0253	0.0217
Plasmodium vivax	glutathione reductase, putative	0.0049	0.0235	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1345	1	1
Schistosoma mansoni	lamin	0.0052	0.026	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0034	0.012	0.0084
Schistosoma mansoni	hypothetical protein	0.0034	0.012	0.0084
Brugia malayi	Thioredoxin reductase	0.0049	0.0235	0.1377
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0052	0.026	0.0225
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0112	0.0708	0.8772
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0574	0.419	0.4169
Brugia malayi	hypothetical protein	0.0166	0.1118	0.6563
Brugia malayi	phosphoglycerate mutase family protein	0.0023	0.0036	0.0212
Loa Loa (eye worm)	glutathione reductase	0.0049	0.0235	0.0199
Echinococcus multilocularis	neuropeptide receptor A26	0.0482	0.3493	0.3469
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0074	0.0038
Echinococcus granulosus	lamin dm0	0.0052	0.026	0.0225
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0049	0.0235	0.0199
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.034	0.0523
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.06	0.0566
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.06	0.0566
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.012	0.0084
Schistosoma mansoni	hypothetical protein	0.0034	0.012	0.0084
Echinococcus multilocularis	GPCR, family 2	0.0034	0.012	0.0084
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0074	0.1913
Echinococcus granulosus	intermediate filament protein	0.0052	0.026	0.0225
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0026	0.0061	0.0025
Echinococcus granulosus	lamin	0.0052	0.026	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0048	0.0012
Onchocerca volvulus		0.0215	0.1482	0.1451
Brugia malayi	intermediate filament protein	0.0052	0.026	0.1525
Echinococcus granulosus	geminin	0.0517	0.3759	0.3736
Brugia malayi	phosphoglycerate mutase family protein	0.0023	0.0036	0.0212
Onchocerca volvulus		0.0052	0.026	0.0225
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.0263	0.0228
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.034	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1322	0.9829	0.9828
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.034	0.0305
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.034	0.0523
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.06	0.0566
Onchocerca volvulus		0.0166	0.1118	0.1086
Brugia malayi	hypothetical protein	0.0028	0.0074	0.0435
Schistosoma mansoni	hypothetical protein	0.0034	0.012	0.0084
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1322	0.9829	0.9828
Loa Loa (eye worm)	intermediate filament protein	0.0052	0.026	0.0225
Toxoplasma gondii	thioredoxin reductase	0.0049	0.0235	0.6541
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0053	0.0263	0.0228
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0574	0.419	0.4169
Mycobacterium tuberculosis	Probable oxidoreductase	0.0124	0.0802	1
Plasmodium vivax	thioredoxin reductase, putative	0.0049	0.0235	1
Mycobacterium tuberculosis	Probable reductase	0.0112	0.0708	0.8772
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0074	0.0038
Schistosoma mansoni	hypothetical protein	0.0517	0.3759	0.3736
Schistosoma mansoni	hypothetical protein	0.0517	0.3759	0.3736
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0027	0.0069	0.0033
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.034	0.3962
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.0263	0.0228
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.0794	0.5846	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0027	0.0069	0.0033
Schistosoma mansoni	hypothetical protein	0.0034	0.012	0.0084
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.0263	0.0228
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0794	0.5846	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.012	0.0703
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.06	0.3523
Trypanosoma brucei	PAB1-binding protein , putative	0.0028	0.0074	0.0038
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0112	0.0708	0.8772
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0027	0.0069	0.1074
Toxoplasma gondii	LsmAD domain-containing protein	0.0028	0.0074	0.1251
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0263	0.1573
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0112	0.0708	0.8772
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1345	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.06	0.0566
Onchocerca volvulus		0.1345	1	1
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0574	0.419	0.4169
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.067	0.0637
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0025	0.0056	0.002
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0107	0.067	0.3934
Mycobacterium tuberculosis	Probable dehydrogenase	0.0112	0.0708	0.8772
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0263	0.1573
Echinococcus multilocularis	lamin	0.0052	0.026	0.0225
Plasmodium falciparum	ataxin-2 like protein, putative	0.0028	0.0074	0.1913
Trichomonas vaginalis	set domain proteins, putative	0.0215	0.1482	1
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0053	0.0263	0.0228
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.034	0.0305
Plasmodium falciparum	thioredoxin reductase	0.0049	0.0235	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.012	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0166	0.1118	0.1086
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0056	0.002
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0053	0.0263	0.0228
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.06	0.0566
Schistosoma mansoni	intermediate filament proteins	0.0052	0.026	0.0225
Plasmodium vivax	SET domain protein, putative	0.0027	0.0069	0.1643
Echinococcus multilocularis	musashi	0.0052	0.026	0.0225
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.034	0.0305
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.012	0.0084
Echinococcus granulosus	GPCR family 2	0.0034	0.012	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0052	0.026	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0048	0.0012
Leishmania major	trypanothione reductase	0.0049	0.0235	0.0199
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.012	0.0084
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0112	0.0708	0.8772
Echinococcus multilocularis	neuropeptide s receptor	0.0482	0.3493	0.3469
Brugia malayi	glutathione reductase	0.0049	0.0235	0.1377
Trypanosoma cruzi	PAB1-binding protein , putative	0.0028	0.0074	0.0038
Plasmodium vivax	ataxin-2 like protein, putative	0.0028	0.0074	0.1913
Schistosoma mansoni	6-phosphofructokinase	0.1345	1	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0053	0.0263	0.7486
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.0263	0.0228
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1345	1	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0124	0.0802	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.1322	0.9829	0.9828
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.06	0.0566
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0124	0.0802	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0053	0.0263	0.0228
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.0416	0.2439
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0124	0.0802	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.034	0.0305
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.0263	0.1573
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.0263	0.0228

Activities

Activity type	Activity value	Assay description	Source	Reference
-logMIC (functional)	= 1.301	Antibacterial activity against Escherichia coli by agar well diffusion method	ChEMBL.	No reference
-logMIC (functional)	= 1.397	Antifungal activity against Candida albicans by agar well diffusion method	ChEMBL.	No reference
MIC (functional)	= 20 ug ml-1	Antibacterial activity against Escherichia coli by agar well diffusion method	ChEMBL.	No reference
MIC (functional)	= 25 ug ml-1	Antifungal activity against Candida albicans by agar well diffusion method	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2296364

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 1798102