TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 309.708 | Formula: C12H12ClN5O3
H donors: 2 H acceptors: 2 LogP: 2.38 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC(=N)N/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-].Cl
InChi: 1S/C12H11N5O3.ClH/c13-12(14)16-15-7-10-5-6-11(20-10)8-1-3-9(4-2-8)17(18)19;/h1-7H,(H4,13,14,16);1H/b15-7+;
InChiKey: ARCAYNPPVJEUNG-HAZZGOGXSA-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
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0191	0.0191
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0397	0.0396
Trypanosoma brucei	Polypeptide deformylase 1	0.0453	0.3749	1
Onchocerca volvulus		0.0029	0.014	0.0137
Loa Loa (eye worm)	hypothetical protein	0.012	0.0911	0.4935
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.0023	0.006
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0191	0.0191
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0131	0.0709
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0272	0.1475
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0206	0.0206
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.0023	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0029	0.014	0.0759
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0191	0.1035
Leishmania major	trypanothione reductase	0.0037	0.0206	0.0549
Plasmodium falciparum	glutathione reductase	0.0037	0.0206	0.0206
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.014	0.155
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0191	0.0191
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0012	0.006
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0191	0.1023
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.061	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0112	0.0607
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0023	0.006
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0191	0.1036
Loa Loa (eye worm)	cytochrome P450 family protein	0.0022	0.0079	0.0426
Echinococcus granulosus	lamin dm0	0.0026	0.0116	0.0629
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0191	0.1036
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0191	0.1023
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.061	0.0609
Brugia malayi	Thioredoxin reductase	0.0037	0.0206	0.1115
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.014	0.155
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.014	0.0759
Leishmania major	hypothetical protein, conserved	0.0035	0.0191	0.0508
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0094	0.069	0.0689
Echinococcus granulosus	lamin	0.0026	0.0116	0.0629
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0191	0.0508
Schistosoma mansoni	survival motor neuron protein	0.0047	0.029	0.3221
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0206	0.0549
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0397	0.0396
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0191	0.0191
Treponema pallidum	polypeptide deformylase (def)	0.1188	1	1
Onchocerca volvulus		0.0232	0.1863	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0191	0.0508
Onchocerca volvulus		0.0047	0.029	0.0998
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.0023	0.0126
Brugia malayi	Pre-SET motif family protein	0.0029	0.014	0.0755
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0191	0.1036
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0453	0.3749	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0023	0.006
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0.0001	0.0004
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0397	0.4407
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0191	0.1036
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0023	0.0022
Entamoeba histolytica	hypothetical protein	0.0035	0.0191	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0191	0.0191
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0191	0.0508
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0191	0.1023
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.061	0.0609
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.014	0.0139
Brugia malayi	intermediate filament protein	0.0026	0.0116	0.0625
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0206	0.0206
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.0023	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0116	0.0629
Brugia malayi	hypothetical protein	0.012	0.0911	0.4933
Schistosoma mansoni	hypothetical protein	0.0047	0.029	0.3221
Entamoeba histolytica	hypothetical protein	0.0035	0.0191	0.5
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0012	0.0065
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0191	0.0191
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0116	0.0629
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0191	0.2117
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0191	0.0191
Trypanosoma cruzi	polypeptide deformylase-like protein, putative	0.0453	0.3749	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0191	0.1023
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0206	0.0206
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0272	0.3021
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0023	0.0126
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.0023	0.006
Echinococcus multilocularis	lamin	0.0026	0.0116	0.0629
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0191	0.0191
Plasmodium vivax	SET domain protein, putative	0.0029	0.014	0.0139
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.0023	0.0022
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0191	0.0191
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0453	0.3749	1
Brugia malayi	hypothetical protein	0.0035	0.0191	0.1031
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.0023	0.0126
Mycobacterium ulcerans	lipase LipD	0.0035	0.0191	0.0191
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0272	0.1475
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0191	0.2119
Mycobacterium tuberculosis	Probable oxidoreductase	0.0094	0.069	0.0689
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0191	0.1036
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0191	0.0191
Brugia malayi	beta-lactamase family protein	0.0035	0.0191	0.1032
Trypanosoma cruzi	Peptide deformylase 2, putative	0.0453	0.3749	1
Onchocerca volvulus	Huntingtin homolog	0.012	0.0911	0.4552
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0191	0.1036
Leishmania major	polypeptide deformylase-like protein, putative	0.0453	0.3749	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0191	0.0191
Brugia malayi	beta-lactamase family protein	0.0035	0.0191	0.1032
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.1863	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0023	0.0126
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.0023	0.0121
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0272	0.1475
Mycobacterium ulcerans	peptide deformylase	0.1188	1	1
Plasmodium falciparum	peptide deformylase	0.1188	1	1
Plasmodium vivax	peptide deformylase, putative	0.1188	1	1
Onchocerca volvulus		0.0035	0.0191	0.0431
Echinococcus multilocularis	musashi	0.0026	0.0116	0.0629
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0094	0.069	0.0689
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.0023	0.006
Entamoeba histolytica	hypothetical protein	0.0035	0.0191	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0272	0.3021
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0116	0.0625
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0397	0.4407
Wolbachia endosymbiont of Brugia malayi	peptide deformylase	0.1188	1	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.061	0.0609
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.1624	0.8793
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0191	0.1035
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0191	0.0191
Mycobacterium leprae	PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE)	0.1188	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0397	0.215
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.061	0.0609
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0191	0.1036
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0272	0.1475
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0013	0.0001	0.5
Loa Loa (eye worm)	hypothetical protein	0.012	0.0911	0.4935
Trypanosoma brucei	Peptide deformylase 2	0.0453	0.3749	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.014	0.0759
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.0023	0.0022
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.1846	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0191	0.1023
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0116	0.0629
Loa Loa (eye worm)	hypothetical protein	0.023	0.1846	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0397	0.0396
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0191	0.1023
Schistosoma mansoni	hypothetical protein	0.0035	0.0191	0.2117
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.0023	0.0126
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.0023	0.0126
Onchocerca volvulus		0.0035	0.0191	0.0431
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0191	0.0191
Onchocerca volvulus	Huntingtin homolog	0.012	0.0911	0.4552
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.029	0.1569
Brugia malayi	Cytochrome P450 family protein	0.0022	0.0079	0.0422
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0116	0.1283
Brugia malayi	beta-lactamase	0.0035	0.0191	0.1032
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0206	0.0206
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0191	0.0191
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0272	0.3021
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0211	0.1141
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0272	0.1475
Mycobacterium tuberculosis	Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase)	0.1188	1	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.014	0.0759
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0191	0.1036
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.014	0.155
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.0023	0.0126
Echinococcus granulosus	intermediate filament protein	0.0026	0.0116	0.0629
Schistosoma mansoni	lamin	0.0026	0.0116	0.1283
Toxoplasma gondii	hypothetical protein	0.1188	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0272	0.1471
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.1806	0.1805
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.014	0.155
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.1846	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0397	0.0396
Mycobacterium tuberculosis	Probable reductase	0.0084	0.061	0.0609
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0211	0.1141
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0206	0.1118
Toxoplasma gondii	isocitrate dehydrogenase	0.0015	0.0023	0.0022
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0397	0.0396
Echinococcus multilocularis	lamin dm0	0.0026	0.0116	0.0629
Brugia malayi	hypothetical protein	0.023	0.1846	1
Brugia malayi	Pre-SET motif family protein	0.0204	0.1624	0.8793
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0206	0.1118
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0397	0.1057
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0397	0.215
Brugia malayi	glutathione reductase	0.0037	0.0206	0.1115
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0.0001	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0191	0.1036
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0191	0.0191
Entamoeba histolytica	hypothetical protein	0.0035	0.0191	0.5
Onchocerca volvulus		0.0035	0.0191	0.0431
Brugia malayi	isocitrate dehydrogenase	0.0015	0.0023	0.0121
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0094	0.069	0.0508
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0191	0.1032
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0191	0.1036
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0084	0.061	0.0427
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0191	0.2119
Schistosoma mansoni	lamin	0.0026	0.0116	0.1283
Trypanosoma brucei	trypanothione reductase	0.0037	0.0206	0.0549
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0206	0.0206
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0191	0.0191

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: CHEMBL2346934

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 1754045