TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.397 | Formula: C17H23N5O
H donors: 0 H acceptors: 3 LogP: 1.61 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(n(c1C)C1CC1)C)N1CCCC(C1)n1cncn1
InChi: 1S/C17H23N5O/c1-12-8-16(13(2)22(12)14-5-6-14)17(23)20-7-3-4-15(9-20)21-11-18-10-19-21/h8,10-11,14-15H,3-7,9H2,1-2H3
InChiKey: CQEMHVASGBRFBN-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
Plasmodium vivax	thioredoxin reductase, putative	0.0029	0.1356	0.2912
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0066	0.5663	0.8197
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0028	0.1146	1
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0057	0.4656	0.777
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0028	0.1146	0.2462
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.0057	0.4656	0.6369
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0018	0	0.5
Onchocerca volvulus		0.0041	0.2746	0.5
Plasmodium falciparum	adenosylhomocysteinase	0.0057	0.4656	1
Mycobacterium ulcerans	6-phosphofructokinase	0.0066	0.5663	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.433	0.3596
Leishmania major	ATP-dependent phosphofructokinase	0.0066	0.5663	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0028	0.1146	0.2462
Schistosoma mansoni	hypothetical protein	0.0103	1	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0029	0.1274	0.0283
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0029	0.1274	0.0283
Trypanosoma cruzi	trypanothione reductase, putative	0.0029	0.1356	0.0464
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0066	0.5663	0.5034
Trypanosoma brucei	adenosine kinase, putative	0.0047	0.3369	0.492
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0028	0.1146	0.5
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0018	0.0023	0.0041
Loa Loa (eye worm)	adenosylhomocysteinase	0.0057	0.4656	0.7818
Leishmania major	trypanothione reductase	0.0029	0.1356	0.0464
Loa Loa (eye worm)	phosphofructokinase	0.0066	0.5663	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.433	0.3596
Loa Loa (eye worm)	glutathione reductase	0.0029	0.1356	0.0668
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0028	0.1146	0.0214
Brugia malayi	Adenosylhomocysteinase	0.0057	0.4656	0.777
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0028	0.1146	0.2024
Toxoplasma gondii	exonuclease III APE	0.0028	0.1146	0.2462
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0067	0.5778	0.8405
Toxoplasma gondii	thioredoxin reductase	0.0029	0.1356	0.2912
Echinococcus granulosus	6 phosphofructokinase	0.0066	0.5663	0.5102
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.433	0.3596
Schistosoma mansoni	adenosine kinase	0.0047	0.3369	0.251
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.433	0.3596
Echinococcus granulosus	thioredoxin glutathione reductase	0.0029	0.1356	0.0237
Plasmodium falciparum	glutathione reductase	0.0029	0.1356	0.2912
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.433	0.3596
Entamoeba histolytica	phosphofructokinase, putative	0.0066	0.5663	1
Schistosoma mansoni	adenosylhomocysteinase	0.0057	0.4656	0.3964
Brugia malayi	Adenosine kinase-like	0.0047	0.3369	0.492
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0029	0.1356	0.0237
Trypanosoma brucei	trypanothione reductase	0.0029	0.1356	0.0464
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0029	0.1274	0.0283
Echinococcus granulosus	adenosine kinase	0.0047	0.3369	0.251
Trypanosoma cruzi	adenosine kinase, putative	0.0047	0.3369	0.492
Entamoeba histolytica	adenosylhomocysteinase, putative	0.0057	0.4656	0.8221
Mycobacterium tuberculosis	Probable oxidoreductase	0.0075	0.6657	1
Leishmania major	S-adenosylhomocysteine hydrolase	0.0057	0.4656	0.777
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0067	0.5778	0.5609
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0029	0.1274	0.0145
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0066	0.5663	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0028	0.1146	0.2024
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0067	0.5778	0.8405
Loa Loa (eye worm)	6-phosphofructokinase	0.0066	0.5663	1
Schistosoma mansoni	hypothetical protein	0.0031	0.1596	0.0508
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.5663	1
Plasmodium falciparum	thioredoxin reductase	0.0029	0.1356	0.2912
Toxoplasma gondii	adenosylhomocysteinase, putative	0.0057	0.4656	1
Trypanosoma brucei	adenosine kinase, putative	0.0047	0.3369	0.492
Echinococcus multilocularis	geminin	0.0103	1	1
Mycobacterium tuberculosis	Probable reductase	0.0067	0.5778	0.8405
Trypanosoma cruzi	adenosine kinase, putative	0.0047	0.3369	0.492
Echinococcus multilocularis	adenosine kinase	0.0047	0.3369	0.251
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.433	0.7112
Echinococcus multilocularis	6 phosphofructokinase	0.0066	0.5663	0.5102
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.0057	0.4656	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0029	0.1274	0.0232
Plasmodium vivax	glutathione reductase, putative	0.0029	0.1356	0.2912
Schistosoma mansoni	adenosine kinase	0.0047	0.3369	0.251
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2082	0.1057
Entamoeba histolytica	phosphofructokinase, putative	0.0066	0.5663	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.5663	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0067	0.5778	0.8405
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.0057	0.4656	0.777
Brugia malayi	phosphofructokinase	0.0066	0.5663	1
Brugia malayi	6-phosphofructokinase	0.0066	0.5663	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0066	0.5663	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0075	0.6657	1
Trichomonas vaginalis	ap endonuclease, putative	0.0028	0.1146	0.2024
Echinococcus multilocularis	adenosylhomocysteinase	0.0057	0.4656	0.3964
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0018	0	0.5
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0066	0.5663	1
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.0057	0.4656	0.777
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.433	0.3596
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2082	0.1057
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2082	0.1057
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.433	0.7049
Schistosoma mansoni	6-phosphofructokinase	0.0066	0.5663	0.5102
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0029	0.1274	0.0145
Brugia malayi	Thioredoxin reductase	0.0029	0.1356	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0047	0.3369	0.5029
Trichomonas vaginalis	ap endonuclease, putative	0.0028	0.1146	0.2024
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0029	0.1274	0.0145
Echinococcus granulosus	adenosylhomocysteinase	0.0057	0.4656	0.3964
Brugia malayi	glutathione reductase	0.0029	0.1356	0.0464
Brugia malayi	6-phosphofructokinase	0.0066	0.5663	1
Schistosoma mansoni	adenosylhomocysteinase	0.0036	0.2082	0.1057
Schistosoma mansoni	6-phosphofructokinase	0.0066	0.5663	0.5102
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0075	0.6657	1
Toxoplasma gondii	kinase, pfkB family protein	0.0047	0.3369	0.7235
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0029	0.1356	0.038
Entamoeba histolytica	phosphofructokinase, putative	0.0066	0.5663	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0067	0.5778	0.8405
Loa Loa (eye worm)	6-phosphofructokinase	0.0066	0.5663	1
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.5663	1
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0057	0.4656	0.8221
Trichomonas vaginalis	phosphofructokinase, putative	0.0066	0.5663	1
Leishmania major	adenosine kinase, putative	0.0047	0.3369	0.492
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0029	0.1274	0.0283
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0057	0.4656	0.777
Loa Loa (eye worm)	thioredoxin reductase	0.0029	0.1356	0.0668
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0075	0.6657	1
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0057	0.4656	0.8221
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.0057	0.4656	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.433	0.3596
Schistosoma mansoni	hypothetical protein	0.0103	1	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0067	0.5778	0.8405

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: CHEMBL3496901

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2067502