TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.503 | Formula: C24H26N6
H donors: 0 H acceptors: 3 LogP: 2.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)CCc1nnc2n1CCN(CC2)Cc1cccn1c1ccccn1
InChi: 1S/C24H26N6/c1-2-7-20(8-3-1)11-12-23-26-27-24-13-16-28(17-18-30(23)24)19-21-9-6-15-29(21)22-10-4-5-14-25-22/h1-10,14-15H,11-13,16-19H2
InChiKey: XOAHNPPIWXGDFD-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
Loa Loa (eye worm)	pyruvate kinase	0.0026	0.1069	0.0586
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0017	0.0399	0.0313
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0.0399	0.3737
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.6918	0.8897
Trichomonas vaginalis	glutathione reductase, putative	0.0017	0.0399	0.3737
Brugia malayi	glutathione reductase	0.0048	0.2601	0.2535
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0017	0.0399	0.1535
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0399	1
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0026	0.1069	0.1374
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.2601	1
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.2601	0.2201
Toxoplasma gondii	pyruvate kinase PyK1	0.0026	0.1069	0.3684
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.2601	1
Brugia malayi	MH2 domain containing protein	0.012	0.7739	0.7719
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Leishmania major	trypanothione reductase	0.0048	0.2601	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.6918	0.8897
Mycobacterium tuberculosis	Probable reductase	0.0109	0.6918	0.8897
Leishmania major	pyruvate kinase	0.0026	0.1069	0.4108
Onchocerca volvulus		0.0153	1	1
Plasmodium falciparum	pyruvate kinase	0.0026	0.1069	0.3684
Treponema pallidum	NADH oxidase	0.0017	0.0399	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0399	0.1535
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0017	0.0399	0.0927
Mycobacterium tuberculosis	Probable oxidoreductase	0.0121	0.7776	1
Loa Loa (eye worm)	pyruvate kinase	0.0026	0.1069	0.0586
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0026	0.1069	0.4108
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.2601	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Trichomonas vaginalis	pyruvate kinase, putative	0.0026	0.1069	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.6918	0.8897
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.6918	0.8897
Schistosoma mansoni	pyruvate kinase	0.0026	0.1069	0.0912
Echinococcus multilocularis	pyruvate kinase	0.0021	0.0682	0.2089
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0017	0.0399	0.3737
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0017	0.0399	0.3737
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0026	0.1069	0.4108
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0399	0.1535
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0017	0.0399	0.1535
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.7739	0.7617
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0121	0.7776	1
Echinococcus granulosus	pyruvate kinase	0.0026	0.1069	0.3684
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0121	0.7776	1
Brugia malayi	Thioredoxin reductase	0.0048	0.2601	0.2535
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.6918	0.8897
Trypanosoma brucei	pyruvate kinase 1, putative	0.0026	0.1069	0.4108
Giardia lamblia	Pyruvate kinase	0.0026	0.1069	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.2601	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0.0399	1
Loa Loa (eye worm)	glutathione reductase	0.0048	0.2601	0.2201
Echinococcus multilocularis	pyruvate kinase	0.0026	0.1069	0.3684
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0026	0.1069	0.0988
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0017	0.0399	0.0927
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0017	0.0399	0.3737
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0017	0.0399	0.1535
Trypanosoma brucei	trypanothione reductase	0.0048	0.2601	1
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0026	0.1069	0.1374
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0017	0.0399	0.1535
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.7739	0.7617
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.2601	0.3345
Chlamydia trachomatis	pyruvate kinase	0.0026	0.1069	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Entamoeba histolytica	pyruvate kinase, putative	0.0018	0.0513	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Trichomonas vaginalis	mercuric reductase, putative	0.0017	0.0399	0.3737
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0017	0.0399	0.1535
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0017	0.0399	0.0927
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0017	0.0399	0.0927
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0017	0.0399	0.1535
Mycobacterium ulcerans	pyruvate kinase	0.0026	0.1069	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0017	0.0399	0.0927
Plasmodium falciparum	thioredoxin reductase	0.0017	0.0399	0.0927
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Echinococcus multilocularis	pyruvate kinase	0.0026	0.1069	0.3684
Plasmodium falciparum	glutathione reductase	0.0048	0.2601	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0017	0.0399	0.3737
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0109	0.6918	0.8897
Loa Loa (eye worm)	pyruvate kinase	0.0026	0.1069	0.0586
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0121	0.7776	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0026	0.1069	1
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0017	0.0399	0.0927
Plasmodium vivax	pyruvate kinase, putative	0.0026	0.1069	0.3684
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1069	0.0586
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0017	0.0399	0.0514
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0017	0.0399	0.1535
Echinococcus granulosus	pyruvate kinase	0.0026	0.1069	0.3684
Loa Loa (eye worm)	hypothetical protein	0.0153	1	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0017	0.0399	0.0229
Giardia lamblia	Pyruvate kinase	0.0013	0.0174	0.1633
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0026	0.1069	0.0988
Toxoplasma gondii	thioredoxin reductase	0.0048	0.2601	1
Leishmania major	pyruvate kinase	0.0026	0.1069	0.4108
Trypanosoma brucei	pyruvate kinase 1	0.0026	0.1069	0.4108
Plasmodium falciparum	thioredoxin reductase	0.0048	0.2601	1
Schistosoma mansoni	pyruvate kinase	0.0026	0.1069	0.0912
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0017	0.0399	0.0927
Plasmodium vivax	glutathione reductase, putative	0.0048	0.2601	1
Plasmodium falciparum	glutathione reductase	0.0017	0.0399	0.0927
Trypanosoma cruzi	trypanothione reductase, putative	0.0017	0.0399	0.1535
Toxoplasma gondii	NADPH-glutathione reductase	0.0017	0.0399	0.0927

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 819071