TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 224.197 | Formula: C8H10N5O3+
H donors: 3 H acceptors: 3 LogP: 0.43 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=[NH2+])N/N=C/c1ccccc1[N+](=O)[O-]
InChi: 1S/C8H9N5O3/c9-8(12-14)11-10-5-6-3-1-2-4-7(6)13(15)16/h1-5,14H,(H3,9,11,12)/p+1/b10-5+
InChiKey: RMMKZNRWMCXTGO-BJMVGYQFSA-O

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
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.0554	0.052
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0054	0.0327	0.0293
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.109	0.1058
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0232	0.3204	1
Brugia malayi	glutathione reductase	0.0053	0.031	0.0275
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0232	0.3204	1
Schistosoma mansoni	hypothetical protein	0.0054	0.0327	0.0293
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0651	1	1
Trypanosoma brucei	trypanothione reductase	0.0053	0.031	0.0865
Schistosoma mansoni	RNA binding protein	0.0232	0.3204	0.318
Schistosoma mansoni	hypothetical protein	0.0185	0.2445	0.2418
Trypanosoma cruzi	hypothetical protein, conserved	0.0232	0.3204	1
Mycobacterium tuberculosis	Probable reductase	0.0121	0.1409	0.4427
Loa Loa (eye worm)	hypothetical protein	0.0265	0.3746	0.3723
Echinococcus multilocularis	survival motor neuron protein 1	0.0265	0.3746	0.3723
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.109	0.1058
Schistosoma mansoni	TRABID protein (C64 family)	0.0232	0.3204	0.318
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.1598	0.1568
Leishmania major	hypothetical protein, conserved	0.0232	0.3204	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0036	0.0112
Echinococcus granulosus	zinc finger protein Ran binding	0.0232	0.3204	0.318
Echinococcus granulosus	geminin	0.0185	0.2445	0.2418
Echinococcus multilocularis	SWI:SNF matrix associated	0.0651	1	1
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3204	0.318
Brugia malayi	TAR-binding protein	0.0132	0.1598	0.1568
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0651	1	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0232	0.3204	0.318
Plasmodium vivax	hypothetical protein, conserved	0.0651	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0554	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0134	0.1627	0.5113
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0121	0.1409	0.8658
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.1598	0.1568
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0064	0.009
Onchocerca volvulus		0.0651	1	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0036	0.0219
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0651	1	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0232	0.3204	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.031	0.0275
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0064	0.0029
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.0554	0.1742
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.109	0.1058
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0232	0.3204	0.318
Toxoplasma gondii	thioredoxin reductase	0.0053	0.031	0.0275
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0064	0.0029
Plasmodium vivax	thioredoxin reductase, putative	0.0053	0.031	0.0275
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.109	0.1058
Leishmania major	hypothetical protein, conserved	0.0232	0.3204	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0332	0.0298
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0554	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0087	0.0052
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0332	0.0298
Onchocerca volvulus		0.0232	0.3204	0.318
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0054	0.0018
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.0554	0.052
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0064	0.009
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0232	0.3204	0.2987
Brugia malayi	brahma associated protein 60 kDa	0.0651	1	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0651	1	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0121	0.1409	0.4427
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0054	0.0018
Leishmania major	trypanothione reductase	0.0053	0.031	0.0865
Echinococcus multilocularis	SWI:SNF matrix associated	0.0651	1	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0332	0.0298
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.0554	0.1637
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0036	0.0112
Schistosoma mansoni	inositol monophosphatase	0.0038	0.0064	0.0029
Mycobacterium tuberculosis	Probable oxidoreductase	0.0134	0.1627	0.5113
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.0064	0.0029
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.1598	0.1568
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0101	0.109	0.1058
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0232	0.3204	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0121	0.1409	0.4427
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.109	0.1058
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0036	0.0112
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0036	0.0112
Echinococcus multilocularis	SWI:SNF matrix associated	0.0651	1	1
Leishmania major	hypothetical protein, conserved	0.0232	0.3204	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0087	1
Onchocerca volvulus		0.0232	0.3204	0.318
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3204	0.318
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3204	0.318
Mycobacterium tuberculosis	Probable dehydrogenase	0.0121	0.1409	0.4427
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0036	0.0112
Schistosoma mansoni	hypothetical protein	0.0651	1	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0064	0.009
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.0554	0.052
Schistosoma mansoni	brg-1 associated factor	0.0651	1	1
Schistosoma mansoni	hypothetical protein	0.0651	1	1
Loa Loa (eye worm)	RNA binding protein	0.0132	0.1598	0.1568
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0036	0.0112
Trypanosoma cruzi	hypothetical protein, conserved	0.0232	0.3204	1
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3204	0.318
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0132	0.1598	0.1568
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0232	0.3204	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.0554	0.052
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0101	0.109	0.1058
Brugia malayi	RNA recognition motif domain containing protein	0.0132	0.1598	0.1568
Loa Loa (eye worm)	hypothetical protein	0.0232	0.3204	0.318
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0232	0.3204	0.318
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.023	0.3183	1
Toxoplasma gondii	ran binding protein	0.0232	0.3204	0.318
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0232	0.3204	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0036	0.0112
Onchocerca volvulus		0.0232	0.3204	0.318
Leishmania major	hypothetical protein, conserved	0.0232	0.3204	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0232	0.3204	1
Brugia malayi	RNA binding protein	0.0132	0.1598	0.1568
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0651	1	1
Loa Loa (eye worm)	brahma associated protein	0.0651	1	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0232	0.3204	0.318
Loa Loa (eye worm)	glutathione reductase	0.0053	0.031	0.0275
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.0554	0.052
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0232	0.3204	0.318
Echinococcus granulosus	ring and YY1 binding protein	0.0232	0.3204	0.318
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0036	0.0219
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0087	0.0052
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0651	1	1
Brugia malayi	Inositol-1	0.0038	0.0064	0.0029
Brugia malayi	Thioredoxin reductase	0.0053	0.031	0.0275
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0121	0.1409	0.4427
Schistosoma mansoni	hypothetical protein	0.0039	0.0087	0.0052
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.0064	0.0551
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0232	0.3204	0.318
Onchocerca volvulus		0.0232	0.3204	0.318
Echinococcus granulosus	SWI:SNF matrix associated	0.0651	1	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.0064	0.0029
Trypanosoma cruzi	WLM domain containing protein, putative	0.0232	0.3204	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0232	0.3204	1
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.0064	0.0029
Schistosoma mansoni	hypothetical protein	0.0037	0.0054	0.0018
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0651	1	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.0064	0.0029
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0232	0.3204	0.318
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.109	0.1058
Onchocerca volvulus		0.0054	0.0327	0.0293
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.0064	0.0029
Trypanosoma cruzi	hypothetical protein, conserved	0.0232	0.3204	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.109	0.1058
Echinococcus multilocularis	tar DNA binding protein	0.0132	0.1598	0.1568
Schistosoma mansoni	hypothetical protein	0.0232	0.3204	0.318
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0332	0.0298
Trypanosoma brucei	hypothetical protein, conserved	0.0232	0.3204	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0651	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0132	0.1598	0.1568
Echinococcus multilocularis	ring and YY1 binding protein	0.0232	0.3204	0.318
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0036	0.0112
Brugia malayi	YY1-associated factor 2	0.0232	0.3204	0.318
Entamoeba histolytica	hypothetical protein	0.0039	0.0087	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0087	0.0052
Trichomonas vaginalis	conserved hypothetical protein	0.0651	1	1
Brugia malayi	hypothetical protein	0.0265	0.3746	0.3723
Leishmania major	hypothetical protein, conserved	0.0232	0.3204	1
Trypanosoma brucei	hypothetical protein, conserved	0.0232	0.3204	1
Schistosoma mansoni	hypothetical protein	0.0185	0.2445	0.2418
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0036	0.0112
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0134	0.1627	1
Schistosoma mansoni	survival motor neuron protein	0.0054	0.0327	0.0293
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0134	0.1627	0.5113
Entamoeba histolytica	hypothetical protein	0.0039	0.0087	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0053	0.031	0.0973
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.0554	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.031	0.0865
Schistosoma mansoni	zinc finger protein	0.0232	0.3204	0.318
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.1598	0.1568
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.0064	0.009
Schistosoma mansoni	fusion	0.0232	0.3204	0.318
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0121	0.1409	0.4427
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0064	0.5
Brugia malayi	SWIB/MDM2 domain containing protein	0.0651	1	1
Schistosoma mansoni	hypothetical protein	0.0651	1	1
Chlamydia trachomatis	DNA topoisomerase I	0.0651	1	0.5
Loa Loa (eye worm)	inositol-1	0.0038	0.0064	0.0029
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0232	0.3204	0.318
Brugia malayi	hypothetical protein	0.0039	0.0087	0.0052
Echinococcus granulosus	survival motor neuron protein 1	0.0265	0.3746	0.3723
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0232	0.3204	0.318
Echinococcus granulosus	tar DNA binding protein	0.0132	0.1598	0.1568
Plasmodium vivax	glutathione reductase, putative	0.0053	0.031	0.0275
Echinococcus multilocularis	geminin	0.0185	0.2445	0.2418
Echinococcus multilocularis	zinc finger protein Ran binding	0.0232	0.3204	0.318
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.031	0.0275
Chlamydia trachomatis	SWIB complex protein	0.0651	1	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0036	0.0112
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0232	0.3204	0.318
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.1598	0.1568
Entamoeba histolytica	hypothetical protein	0.0039	0.0087	1
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.031	0.0275

Activities

Activity type	Activity value	Assay description	Source	Reference
Acceptor activity (binding)	= 56.4	Electron acceptor activity on bovine milk xanthine oxidase using xanthine as reducing substrate	ChEMBL.	15163191

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: 272707

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 172578