TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.434 | Formula: C19H25N5O2
H donors: 2 H acceptors: 3 LogP: 2.78 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1nc(Nc2ccc(cc2)NC(=O)C(C)C)nc(c1)N1CCOCC1
InChi: 1S/C19H25N5O2/c1-13(2)18(25)21-15-4-6-16(7-5-15)22-19-20-14(3)12-17(23-19)24-8-10-26-11-9-24/h4-7,12-13H,8-11H2,1-3H3,(H,21,25)(H,20,22,23)
InChiKey: PYQVWEONOTZBTP-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
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0054	0.2998	0.291
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0054	0.2998	0.9034
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0028	0.0945	0.2856
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0054	0.2998	0.9034
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0025	0.0699	0.1999
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0028	0.0945	0.0831
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0054	0.2998	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.01	0.6733	0.8342
Trypanosoma cruzi	trypanothione reductase, putative	0.0044	0.2191	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0054	0.2998	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Onchocerca volvulus		0.0031	0.1174	0.2065
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0054	0.2998	1
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.184	0.5545
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0054	0.2998	0.291
Brugia malayi	steroid hormone receptor	0.0054	0.2998	0.9034
Echinococcus granulosus	thyroid hormone receptor alpha	0.0025	0.0699	0.1999
Brugia malayi	tailless protein	0.0025	0.0699	0.2106
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0054	0.2998	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0054	0.2998	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Echinococcus multilocularis	lamin dm0	0.0031	0.1174	0.3651
Brugia malayi	nuclear receptor NHR-88	0.0025	0.0699	0.2106
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0054	0.2998	0.291
Brugia malayi	orphan nuclear receptor NR2E1	0.0025	0.0699	0.2106
Loa Loa (eye worm)	thioredoxin reductase	0.0044	0.2191	0.6604
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0054	0.2998	0.9034
Echinococcus granulosus	lamin	0.0031	0.1174	0.3651
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0945	0.2848
Echinococcus multilocularis	lamin	0.0031	0.1174	0.3651
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0054	0.2998	0.9034
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0028	0.0945	0.2848
Echinococcus granulosus	nuclear receptor nhr 48	0.0025	0.0699	0.1999
Plasmodium vivax	thioredoxin reductase, putative	0.0044	0.2191	0.5
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.01	0.6733	0.8342
Brugia malayi	hypothetical protein	0.0025	0.0699	0.2106
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Echinococcus granulosus	thioredoxin glutathione reductase	0.0045	0.2239	0.7359
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0054	0.2998	1
Schistosoma mansoni	lamin	0.0031	0.1174	0.1062
Brugia malayi	nuclear receptor NHR-67	0.0025	0.0699	0.2106
Brugia malayi	hypothetical protein	0.0025	0.0699	0.2106
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.3318	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0945	0.2848
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0054	0.2998	0.9034
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0054	0.2998	0.9034
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0054	0.2998	0.291
Brugia malayi	Nuclear hormone receptor-like 1	0.0028	0.0945	0.2848
Leishmania major	trypanothione reductase	0.0044	0.2191	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0054	0.2998	1
Brugia malayi	nuclear hormone receptor	0.0025	0.0699	0.2106
Brugia malayi	nuclear hormone receptor	0.0054	0.2998	0.9034
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0028	0.0945	0.2856
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Echinococcus multilocularis	musashi	0.0031	0.1174	0.3651
Schistosoma mansoni	hypothetical protein	0.004	0.184	0.1737
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Schistosoma mansoni	nuclear receptor	0.0025	0.0699	0.0582
Loa Loa (eye worm)	glutathione reductase	0.0044	0.2191	0.6604
Echinococcus granulosus	FTZ F1 alpha	0.0054	0.2998	1
Schistosoma mansoni	nuclear hormone receptor	0.0025	0.0699	0.0582
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0054	0.2998	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Brugia malayi	Nuclear hormone receptor-like 1	0.0028	0.0945	0.2848
Loa Loa (eye worm)	hypothetical protein	0.004	0.184	0.5545
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.3318	1
Brugia malayi	conserved hypotetical protein	0.0025	0.0699	0.2106
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0054	0.2998	1
Brugia malayi	ecdysone receptor	0.0025	0.0699	0.2106
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0054	0.2998	0.9034
Brugia malayi	nuclear receptor NHR-88	0.0054	0.2998	0.9034
Schistosoma mansoni	coup transcription factor	0.0054	0.2998	0.291
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0025	0.0699	0.1999
Onchocerca volvulus	Protein ultraspiracle homolog	0.0054	0.2998	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0054	0.2998	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0111	0.7636	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0025	0.0699	0.0582
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0054	0.2998	0.9034
Brugia malayi	photoreceptor-specific nuclear receptor	0.0054	0.2998	0.9034
Mycobacterium tuberculosis	Probable reductase	0.01	0.6733	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0124	0.0375
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0025	0.0699	0.2106
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0124	0.0375
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0025	0.0699	0.2106
Loa Loa (eye worm)	steroid hormone receptor	0.0054	0.2998	0.9034
Loa Loa (eye worm)	nuclear hormone receptor	0.0025	0.0699	0.2106
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0054	0.2998	0.9034
Schistosoma mansoni	nuclear hormone receptor	0.0025	0.0699	0.0582
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0054	0.2998	0.291
Onchocerca volvulus		0.0054	0.2998	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0945	0.2848
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0054	0.2998	1
Toxoplasma gondii	thioredoxin reductase	0.0044	0.2191	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.1174	0.3537
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0111	0.7636	1
Echinococcus multilocularis	FTZ F1 alpha	0.0054	0.2998	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0054	0.2998	0.291
Brugia malayi	nuclear hormone receptor family member odr-7	0.0025	0.0699	0.2106
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0054	0.2998	0.9034
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0025	0.0699	0.1999
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1174	0.3537
Echinococcus multilocularis	nuclear receptor nhr 48	0.0025	0.0699	0.1999
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Schistosoma mansoni	zinc finger protein	0.0025	0.0699	0.0582
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0025	0.0699	0.2106
Brugia malayi	glutathione reductase	0.0044	0.2191	0.6604
Brugia malayi	ecdysteroid receptor	0.0054	0.2998	0.9034
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0025	0.0699	0.1999
Onchocerca volvulus		0.0031	0.1174	0.2065
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.3318	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Brugia malayi	nuclear receptor RXR	0.0025	0.0699	0.2106
Brugia malayi	Steroid receptor seven-up type 2	0.0054	0.2998	0.9034
Schistosoma mansoni	nuclear hormone receptor	0.0054	0.2998	0.291
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0054	0.2998	0.9034
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.01	0.6733	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0054	0.2998	0.9034
Trypanosoma brucei	trypanothione reductase	0.0044	0.2191	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0045	0.2239	0.7359
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0054	0.2998	0.9034
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0945	0.2848
Brugia malayi	Nuclear hormone receptor E75	0.0025	0.0699	0.2106
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0054	0.2998	0.9034
Brugia malayi	hypothetical protein	0.0028	0.0945	0.2848
Schistosoma mansoni	RAR-like nuclear receptor	0.0054	0.2998	0.291
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.1174	0.3537
Echinococcus granulosus	intermediate filament protein	0.0031	0.1174	0.3651
Plasmodium falciparum	glutathione reductase	0.0044	0.2191	0.5
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0025	0.0699	0.0582
Mycobacterium tuberculosis	Probable oxidoreductase	0.0111	0.7636	1
Loa Loa (eye worm)	DR-78	0.0025	0.0699	0.2106
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0945	0.2848
Plasmodium vivax	glutathione reductase, putative	0.0044	0.2191	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0054	0.2998	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0111	0.7636	1
Schistosoma mansoni	lamin	0.0031	0.1174	0.1062
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0025	0.0699	0.1999
Schistosoma mansoni	nuclear receptor	0.0025	0.0699	0.0582
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0054	0.2998	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0054	0.2998	0.9034
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0054	0.2998	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0025	0.0699	0.2106
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0025	0.0699	0.1999
Onchocerca volvulus	Bile acid receptor homolog	0.0054	0.2998	1
Brugia malayi	Nuclear hormone receptor E75	0.0025	0.0699	0.2106
Brugia malayi	Thioredoxin reductase	0.0044	0.2191	0.6604
Schistosoma mansoni	nuclear receptor nhr-48	0.0025	0.0699	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.01	0.6733	0.8342
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0025	0.0699	0.1999
Schistosoma mansoni	intermediate filament proteins	0.0031	0.1174	0.1062
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0054	0.2998	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0054	0.2998	0.9034
Loa Loa (eye worm)	hypothetical protein	0.0058	0.3318	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.1174	0.3537
Brugia malayi	nuclear receptor RXR	0.0028	0.0945	0.2848
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0054	0.2998	0.9034
Schistosoma mansoni	retinoic acid receptor RXR	0.0054	0.2998	0.291
Brugia malayi	intermediate filament protein	0.0031	0.1174	0.3537
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0054	0.2998	0.9034
Plasmodium falciparum	thioredoxin reductase	0.0044	0.2191	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0054	0.2998	0.291
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0054	0.2998	0.9034
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0028	0.0945	0.0831
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0124	0.0375
Mycobacterium tuberculosis	Probable dehydrogenase	0.01	0.6733	0.8342
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0054	0.2998	1
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0124	0.0375
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0054	0.2998	0.291
Schistosoma mansoni	thyroid hormone receptor	0.0054	0.2998	0.291
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0025	0.0699	0.1999
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0699	0.2106
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0054	0.2998	0.9034
Brugia malayi	Nuclear hormone receptor-like 1	0.0054	0.2998	0.9034
Brugia malayi	hypothetical protein	0.0028	0.0945	0.2848
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0025	0.0699	0.1999
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0054	0.2998	0.9034
Loa Loa (eye worm)	hypothetical protein	0.0031	0.1127	0.3397
Echinococcus granulosus	lamin dm0	0.0031	0.1174	0.3651
Echinococcus multilocularis	ecdysone induced protein 78C	0.0054	0.2998	1

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 901988