TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 272.302 | Formula: C14H16N4O2
H donors: 3 H acceptors: 3 LogP: 1.57 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1[nH]nc(c1)C(C)C)N/N=C/c1ccccc1O
InChi: 1S/C14H16N4O2/c1-9(2)11-7-12(17-16-11)14(20)18-15-8-10-5-3-4-6-13(10)19/h3-9,19H,1-2H3,(H,16,17)(H,18,20)/b15-8+
InChiKey: UBBDCZQRPHZPPA-OVCLIPMQSA-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
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.037	0.2799
Entamoeba histolytica	hypothetical protein	0.0111	0.2887	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.019	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.052	0.0411
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.2726	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0025	0.037	0.0409
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0161	0.0125
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1098	0.1569
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0124	0.5
Entamoeba histolytica	hypothetical protein	0.0111	0.2887	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.037	0.2799
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0161	0.0125
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.052	0.0411
Loa Loa (eye worm)	hypothetical protein	0.0018	0.019	0.0122
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.037	0.2799
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1031	0.1613
Brugia malayi	Pre-SET motif family protein	0.0207	0.5671	0.8876
Schistosoma mansoni	hypothetical protein	0.0034	0.0642	0.1379
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0111	0.2887	0.2805
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.019	0.0224
Entamoeba histolytica	hypothetical protein	0.0111	0.2887	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.3069	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.2726	0.8837
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.2726	0.8731
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.6502	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.052	0.0648
Trypanosoma brucei	trypanothione reductase	0.0046	0.1003	1
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.037	0.0579
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.5671	0.8856
Brugia malayi	glutathione reductase	0.0046	0.1003	0.1569
Plasmodium falciparum	glutathione reductase	0.0046	0.1003	1
Brugia malayi	hypothetical protein	0.0111	0.2887	0.4518
Plasmodium falciparum	thioredoxin reductase	0.0046	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.037	0.0409
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.1003	0.1417
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.019	0.0751
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0124	0.0194
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.3069	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.2726	0.8837
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.1003	0.09
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0488	0.0379
Plasmodium vivax	glutathione reductase, putative	0.0046	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.019	0.0122
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.052	0.1061
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0124	0.0011
Loa Loa (eye worm)	hypothetical protein	0.005	0.1098	0.1569
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1098	0.1718
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.1003	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.019	0.0122
Brugia malayi	hypothetical protein	0.0232	0.639	1
Brugia malayi	Pre-SET motif family protein	0.003	0.052	0.0814
Echinococcus multilocularis	tumor protein p63	0.0356	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0111	0.2887	0.2805
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.037	0.0836
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.019	0.2683
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1031	0.2392
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.037	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.1003	1
Schistosoma mansoni	transcription factor LCR-F1	0.0111	0.2887	0.7233
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.052	0.1061
Leishmania major	trypanothione reductase	0.0046	0.1003	1
Mycobacterium ulcerans	hypothetical protein	0.0025	0.037	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0642	0.1005
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0113	0.0177
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0161	0.0125
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.037	0.0836
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.037	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.052	0.1061
Entamoeba histolytica	hypothetical protein	0.0111	0.2887	1
Loa Loa (eye worm)	glutathione reductase	0.0046	0.1003	0.1417
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0161	0.0125
Brugia malayi	Thioredoxin reductase	0.0046	0.1003	0.1569
Toxoplasma gondii	thioredoxin reductase	0.0046	0.1003	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.2726	0.8837
Onchocerca volvulus		0.003	0.052	0.0245
Loa Loa (eye worm)	hypothetical protein	0.0232	0.639	1
Schistosoma mansoni	hypothetical protein	0.0047	0.1031	0.2392
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.0124	0.5
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0124	0.5
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.3069	1
Onchocerca volvulus		0.0235	0.6502	1
Mycobacterium tuberculosis	Probable reductase	0.0106	0.2726	0.8837
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.037	1
Onchocerca volvulus		0.0052	0.1171	0.1307
Onchocerca volvulus		0.0047	0.1031	0.1078
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.052	0.1061
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.639	0.6348
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.037	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.037	0.0409
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1098	0.1718
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.1003	0.2985
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.037	0.0579
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0113	0.0177
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0124	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0018	0.019	0.0122
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.052	0.0411
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.1003	0.09
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.037	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.019	0.0751
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.2726	0.8837
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.639	0.6348
Plasmodium vivax	SET domain protein, putative	0.003	0.052	0.4509
Loa Loa (eye worm)	hypothetical protein	0.0018	0.019	0.0122
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.052	0.4509
Treponema pallidum	NADH oxidase	0.0016	0.0124	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.037	1
Schistosoma mansoni	cellular tumor antigen P53	0.0052	0.1171	0.2759
Schistosoma mansoni	hypothetical protein	0.0111	0.2887	0.7233
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.037	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.3069	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1171	0.1686
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0124	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0642	0.0843
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.037	0.0579

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 761982