TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 260.249 | Formula: C12H12N4O3
H donors: 3 H acceptors: 3 LogP: 0.72 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)c(O)c(cn2)C(=O)N=C(N)N
InChi: 1S/C12H12N4O3/c1-19-6-2-3-9-7(4-6)10(17)8(5-15-9)11(18)16-12(13)14/h2-5H,1H3,(H,15,17)(H4,13,14,16,18)
InChiKey: PZZSBJKCNVZQHL-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
Echinococcus multilocularis	GPCR, family 2	0.0026	0.1193	0.1564
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0859	0.1182
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.0022	0.0859	0.2578
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0019	0.0623	0.0858
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0044	0.2554	0.3456
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0092	0.6389	0.8785
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0015	0.0286	0.0304
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0109	0.7732	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0026	0.1193	0.1564
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0286	0.114
Loa Loa (eye worm)	glutamate receptor	0.0029	0.1434	0.1974
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.7263	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0286	0.114
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0022	0.0859	0.11
Schistosoma mansoni	hypothetical protein	0.0026	0.1193	0.1193
Schistosoma mansoni	DNA helicase recq1	0.0022	0.0859	0.0859
Echinococcus granulosus	GPCR family 2	0.0026	0.1193	0.1564
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0015	0.0286	0.114
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0286	0.114
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0022	0.0859	0.1182
Toxoplasma gondii	thioredoxin reductase	0.0043	0.2509	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.0022	0.0859	1
Mycobacterium tuberculosis	Probable reductase	0.0098	0.6866	0.8837
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0859	1
Plasmodium falciparum	glutathione reductase	0.0043	0.2509	1
Loa Loa (eye worm)	glutamate receptor	0.0075	0.5022	0.6915
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.7263	0.7263
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0015	0.0286	0.114
Brugia malayi	latrophilin 2 splice variant baaae	0.0057	0.3613	0.4928
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0015	0.0286	0.114
Schistosoma mansoni	hypothetical protein	0.0057	0.3613	0.3613
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0026	0.1193	0.1564
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0019	0.0623	0.0858
Brugia malayi	metabotropic glutamate receptor type 2	0.0036	0.199	0.2672
Brugia malayi	Thioredoxin reductase	0.0043	0.2509	0.3393
Schistosoma mansoni	hypothetical protein	0.0026	0.1193	0.1193
Loa Loa (eye worm)	hypothetical protein	0.0011	0.00000000072226	0.00000000099446
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0067	0.0093
Mycobacterium tuberculosis	Probable oxidoreductase	0.0109	0.7732	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0085	0.5833	0.5833
Loa Loa (eye worm)	hypothetical protein	0.0083	0.5699	0.7847
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0098	0.6866	0.8837
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0103	0.7263	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0286	0.114
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0859	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0286	0.114
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0043	0.2509	0.2985
Treponema pallidum	NADH oxidase	0.0015	0.0286	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0015	0.0286	0.5
Loa Loa (eye worm)	thioredoxin reductase	0.0043	0.2509	0.3454
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0098	0.6866	0.8837
Brugia malayi	glutathione reductase	0.0043	0.2509	0.3393
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0859	0.3424
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.7263	1
Plasmodium vivax	thioredoxin reductase, putative	0.0043	0.2509	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0015	0.0286	0.114
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0859	0.11
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0092	0.6389	0.8785
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0015	0.0286	0.5
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0063	0.4062	0.5552
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0015	0.0286	0.114
Schistosoma mansoni	DNA helicase recq5	0.0022	0.0859	0.0859
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0083	0.5699	0.7847
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0859	0.3424
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0026	0.1193	0.1564
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0022	0.0859	0.2578
Loa Loa (eye worm)	hypothetical protein	0.0092	0.6389	0.8796
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0022	0.0859	0.11
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0.0286	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1193	0.1642
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0098	0.6866	0.8837
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0103	0.7263	1
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0859	1
Plasmodium vivax	glutathione reductase, putative	0.0043	0.2509	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0022	0.0859	0.11
Schistosoma mansoni	hypothetical protein	0.0026	0.1193	0.1193
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0068	0.4466	0.6113
Onchocerca volvulus	Poor gastrulation protein homolog	0.0012	0.0067	0.5
Entamoeba histolytica	recQ family helicase, putative	0.0022	0.0859	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0015	0.0286	0.114
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0859	0.2578
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0026	0.1193	0.1642
Schistosoma mansoni	metabotropic glutamate receptor	0.0063	0.4062	0.4062
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0015	0.0286	0.114
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0103	0.7263	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0067	0.0067
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0859	0.11
Mycobacterium tuberculosis	Probable dehydrogenase	0.0098	0.6866	0.8837
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0083	0.5699	0.7827
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0103	0.7263	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0022	0.0859	0.11
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0859	0.1182
Leishmania major	trypanothione reductase	0.0043	0.2509	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0026	0.1193	0.1564
Brugia malayi	Latrophilin receptor protein 2	0.0026	0.1193	0.1564
Brugia malayi	Receptor family ligand binding region containing protein	0.0019	0.0623	0.0773
Schistosoma mansoni	hypothetical protein	0.0026	0.1193	0.1193
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.7263	0.7263
Trypanosoma cruzi	trypanothione reductase, putative	0.0043	0.2509	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0026	0.1193	0.1564
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0063	0.4062	0.5552
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0859	0.11
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0075	0.5022	0.6886
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0103	0.7263	0.7263
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0109	0.7732	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0015	0.0286	0.0286
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0623	0.0858
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0015	0.0286	0.5
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0859	0.11
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0015	0.0286	0.5
Plasmodium falciparum	thioredoxin reductase	0.0043	0.2509	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.3613	0.4975
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0859	0.2578
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0022	0.0859	0.11
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0015	0.0286	0.0304
Loa Loa (eye worm)	glutathione reductase	0.0043	0.2509	0.3454
Schistosoma mansoni	metabotropic glutamate receptor	0.0036	0.199	0.199
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0015	0.0286	0.0304
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0098	0.6866	0.8837
Trypanosoma brucei	trypanothione reductase	0.0043	0.2509	1
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0012	0.0067	0.5
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0015	0.0286	0.5
Toxoplasma gondii	NADPH-glutathione reductase	0.0015	0.0286	0.114
Echinococcus granulosus	thioredoxin glutathione reductase	0.0044	0.2554	0.3456
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0109	0.7732	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0022	0.0859	0.3424
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0083	0.5699	0.7827

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: CHEMBL1191293

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 1148163