TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 438.606 | Formula: C26H38N4O2
H donors: 0 H acceptors: 2 LogP: 3.04 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N(C(C1CCN(CC1)Cc1cnn(c1C)C)Cc1ccccc1)C)C1CCOCC1
InChi: 1S/C26H38N4O2/c1-20-24(18-27-29(20)3)19-30-13-9-22(10-14-30)25(17-21-7-5-4-6-8-21)28(2)26(31)23-11-15-32-16-12-23/h4-8,18,22-23,25H,9-17,19H2,1-3H3
InChiKey: IMSZFIWISWHJHQ-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)	acetyltransferase	0.0141	0.2165	0.2165
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.041	0.041
Brugia malayi	nuclear receptor NHR-88	0.0047	0.041	0.041
Echinococcus multilocularis	lamin dm0	0.0026	0.0029	0.0059
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0059	0.0649	0.5
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.0313	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0046	0.0046
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0029	0.0029
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.0313	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0047	0.041	0.0825
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0047	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Echinococcus granulosus	FTZ F1 alpha	0.0047	0.041	0.1
Brugia malayi	hypothetical protein	0.0027	0.0046	0.0046
Onchocerca volvulus		0.0027	0.0046	0.043
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0046	0.0046
Echinococcus granulosus	geminin	0.0165	0.2609	0.6364
Schistosoma mansoni	coup transcription factor	0.0047	0.041	0.0825
Schistosoma mansoni	organic anion transporter	0.0027	0.0046	0.0092
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0027	0.0046	0.0092
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0649	0.1307
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0047	0.041	0.041
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0248	0.5
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0414	0.0833
Onchocerca volvulus	Putative organic anion transporter	0.0027	0.0046	0.043
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.0313	1
Brugia malayi	prostaglandin transporter	0.0027	0.0046	0.0046
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0047	0.041	0.041
Schistosoma mansoni	retinoic acid receptor RXR	0.0047	0.041	0.0825
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0059	0.0649	0.1307
Echinococcus multilocularis	geminin	0.0165	0.2609	0.5251
Loa Loa (eye worm)	hypothetical protein	0.0561	1	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.0313	0.0762
Schistosoma mansoni	hypothetical protein	0.0035	0.0192	0.0387
Schistosoma mansoni	hypothetical protein	0.0245	0.41	0.8251
Brugia malayi	acetyltransferase, GNAT family protein	0.0141	0.2165	0.2165
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0047	0.041	0.041
Echinococcus granulosus	lamin dm0	0.0026	0.0029	0.0071
Brugia malayi	steroid hormone receptor	0.0047	0.041	0.041
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0141	0.2165	0.4357
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0046	0.0046
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0146	0.2267	0.2267
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0047	0.041	0.1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0047	0.041	0.041
Onchocerca volvulus		0.0027	0.0046	0.043
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0047	0.041	0.9893
Loa Loa (eye worm)	steroid hormone receptor	0.0047	0.041	0.041
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0256	0.4318	0.4318
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.023	0.3823	0.3823
Echinococcus multilocularis	lamin	0.0026	0.0029	0.0059
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.041	0.0825
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0047	0.041	0.0825
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0047	0.041	0.0825
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.0649	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0046	0.0046
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0029	0.0059
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0047	0.041	0.041
Brugia malayi	Steroid receptor seven-up type 2	0.0047	0.041	0.041
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0245	0.41	0.8251
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0649	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0047	0.041	0.041
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0027	0.0046	0.0092
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0192	0.0387
Brugia malayi	Nuclear hormone receptor-like 1	0.0278	0.4728	0.4728
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0059	0.0649	0.5
Schistosoma mansoni	hypothetical protein	0.0165	0.2609	0.5251
Echinococcus granulosus	single minded 2	0.0035	0.0193	0.047
Brugia malayi	sodium-independent organic anion transporter family protein	0.0027	0.0046	0.0046
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.0248	0.5
Onchocerca volvulus		0.0035	0.0193	0.425
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0137	0.2092	0.5102
Brugia malayi	ecdysteroid receptor	0.0047	0.041	0.041
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0414	0.0414
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0047	0.041	0.041
Brugia malayi	bHLH-PAS transcription factor	0.0035	0.0193	0.0193
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0047	0.041	0.1
Echinococcus multilocularis	musashi	0.0026	0.0029	0.0059
Brugia malayi	hypothetical protein	0.023	0.3823	0.3823
Loa Loa (eye worm)	hypothetical protein	0.0026	0.002	0.002
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0047	0.041	0.1
Brugia malayi	intermediate filament protein	0.0026	0.0029	0.0029
Schistosoma mansoni	thyroid hormone receptor	0.0291	0.4969	1
Brugia malayi	hypothetical protein	0.0035	0.0192	0.0192
Onchocerca volvulus	Bile acid receptor homolog	0.0047	0.041	0.9893
Schistosoma mansoni	lamin	0.0026	0.0029	0.0059
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0027	0.0046	0.0046
Schistosoma mansoni	single-minded	0.0047	0.0422	0.0849
Loa Loa (eye worm)	cytochrome P450 family protein	0.0025	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0047	0.041	0.041
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0047	0.041	0.0825
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.041	0.1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0047	0.041	0.1
Schistosoma mansoni	RAR-like nuclear receptor	0.0047	0.041	0.0825
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0047	0.041	0.0825
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Onchocerca volvulus	Protein ultraspiracle homolog	0.0047	0.041	0.9893
Onchocerca volvulus		0.0047	0.0414	1
Schistosoma mansoni	hypothetical protein	0.0047	0.0414	0.0833
Brugia malayi	PAS domain containing protein	0.0047	0.0422	0.0422
Schistosoma mansoni	thyroid hormone receptor	0.0291	0.4969	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0047	0.041	0.0825
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0245	0.41	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0047	0.041	0.1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.0649	1
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0027	0.0046	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0046	0.0046
Echinococcus multilocularis	transfer RNA-Lys	0.0035	0.0193	0.0388
Brugia malayi	Nuclear hormone receptor-like 1	0.0256	0.4318	0.4318
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0047	0.041	0.0825
Onchocerca volvulus		0.0027	0.0046	0.043
Schistosoma mansoni	nuclear hormone receptor	0.0047	0.041	0.0825
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0047	0.041	0.041
Brugia malayi	hypothetical protein	0.0027	0.0046	0.0046
Onchocerca volvulus	Putative organic anion transporter	0.0027	0.0046	0.043
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0047	0.041	0.0825
Brugia malayi	Cytochrome P450 family protein	0.0025	0.0014	0.0014
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0192	0.0469
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0029	0.0029
Onchocerca volvulus		0.0047	0.041	0.9893
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0029	0.0029
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.0313	0.5
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.0649	0.1584
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0047	0.041	0.0825
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.041	0.041
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0192	0.0387
Onchocerca volvulus	Putative organic anion transporter	0.0027	0.0046	0.043
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0047	0.041	0.041
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0047	0.041	0.1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.041	0.041
Echinococcus multilocularis	ecdysone induced protein 78C	0.0047	0.041	0.0825
Schistosoma mansoni	organic anion transporter	0.0027	0.0046	0.0092
Brugia malayi	Nuclear hormone receptor-like 1	0.0256	0.4318	0.4318
Brugia malayi	hypothetical protein	0.0159	0.2496	0.2496
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0047	0.041	0.041
Echinococcus granulosus	intermediate filament protein	0.0026	0.0029	0.0071
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0027	0.0046	0.0111
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0047	0.041	0.0825
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0047	0.041	0.0825
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0291	0.4969	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0047	0.041	0.1
Brugia malayi	sodium-independent organic anion transporter family protein	0.0027	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Echinococcus multilocularis	survival motor neuron protein 1	0.023	0.3823	0.7693
Trypanosoma cruzi	MFS transporter, putative	0.0027	0.0046	0.5
Onchocerca volvulus		0.0027	0.0046	0.043
Loa Loa (eye worm)	hypothetical protein	0.0047	0.041	0.041
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0047	0.041	0.0825
Brugia malayi	photoreceptor-specific nuclear receptor	0.0047	0.041	0.041
Echinococcus multilocularis	FTZ F1 alpha	0.0047	0.041	0.0825
Schistosoma mansoni	hypothetical protein	0.0165	0.2609	0.5251
Schistosoma mansoni	lamin	0.0026	0.0029	0.0059
Brugia malayi	hypoxia-induced factor 1	0.0146	0.2267	0.2267
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0141	0.2165	0.4357
Echinococcus granulosus	lamin	0.0026	0.0029	0.0071
Schistosoma mansoni	aryl hydrocarbon receptor	0.0047	0.0422	0.0849
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.0313	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0047	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0046	0.0046
Brugia malayi	sodium-independent organic anion transporter family protein	0.0027	0.0046	0.0046
Onchocerca volvulus		0.0027	0.0046	0.043
Echinococcus granulosus	survival motor neuron protein 1	0.023	0.3823	0.9324
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0047	0.041	0.041
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0248	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0047	0.041	0.041
Loa Loa (eye worm)	hypothetical protein	0.0159	0.2496	0.2496
Loa Loa (eye worm)	hypothetical protein	0.0254	0.4268	0.4268
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0047	0.041	0.041
Brugia malayi	nuclear hormone receptor	0.0047	0.041	0.041
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0047	0.041	0.041
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.051	0.051

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 895004