TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 327.424 | Formula: C18H25N5O
H donors: 0 H acceptors: 3 LogP: 1.27 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCn1ncc2c1C(COCC1CC1)CN(C2)c1ccc(nn1)C
InChi: 1S/C18H25N5O/c1-3-23-18-15(8-19-23)9-22(17-7-4-13(2)20-21-17)10-16(18)12-24-11-14-5-6-14/h4,7-8,14,16H,3,5-6,9-12H2,1-2H3
InChiKey: VBBSTYCACQHPJZ-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
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.0304	0.0304
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0041	0.0088	1
Echinococcus multilocularis	muscleblind protein 1	0.0161	0.2549	0.2549
Schistosoma mansoni	alpha glucosidase	0.0041	0.0088	0.0156
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.045	0.1488
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0261	0.0261
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0088	1
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0304	0.0538
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.045	0.0796
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0261	0.0462
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.0304	0.0304
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.045	0.045
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0202	0.3401	0.3401
Trypanosoma cruzi	hypothetical protein, conserved	0.0183	0.3011	1
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2498	0.4419
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0088	1
Giardia lamblia	GTOR	0.0037	0	0.5
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.0088	0.0292
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.3024	0.3024
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0088	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0261	0.0261
Onchocerca volvulus	Huntingtin homolog	0.0137	0.2064	1
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0184	0.3024	1
Echinococcus granulosus	muscleblind protein	0.0161	0.2549	0.2549
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0088	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0184	0.3024	0.3024
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0184	0.3024	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0088	1
Echinococcus multilocularis	muscleblind protein	0.0161	0.2549	0.2549
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0088	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.0088	0.0088
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2498	0.4419
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.0304	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0058	0.045	0.1488
Brugia malayi	hypothetical protein	0.0137	0.2064	0.6827
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.0304	0.0538
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0041	0.0088	1
Loa Loa (eye worm)	MBCTL1	0.0058	0.045	0.1488
Brugia malayi	mbt repeat family protein	0.0051	0.0304	0.1006
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.045	0.045
Leishmania major	hypothetical protein, conserved	0.019	0.3155	1
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.0304	0.0304
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.045	0.045
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.045	0.045
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2549	0.8431
Loa Loa (eye worm)	hypothetical protein	0.0137	0.2064	0.6827
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.3024	0.3024
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.0304	0.1006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0261	0.0462
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.0304	0.0538
Loa Loa (eye worm)	hypothetical protein	0.0137	0.2064	0.6827
Onchocerca volvulus	Huntingtin homolog	0.0137	0.2064	1
Leishmania major	alpha glucosidase II subunit, putative	0.0041	0.0088	0.028
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0304	0.1006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0261	0.0261
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0041	0.0088	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0261	0.0462
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0041	0.0088	1
Brugia malayi	mbt repeat family protein	0.0051	0.0304	0.1006
Trypanosoma brucei	glucosidase, putative	0.0041	0.0088	1
Schistosoma mansoni	hypothetical protein	0.0312	0.5653	1
Brugia malayi	Muscleblind-like protein	0.0161	0.2549	0.8431
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0261	0.0261
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.0088	0.0292
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0088	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0088	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0524	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0261	0.0863
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0261	0.0863
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0202	0.3401	0.3401
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0088	0.0293
Onchocerca volvulus		0.0106	0.1433	0.6413
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0088	0.0293
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.0088	0.0088
Loa Loa (eye worm)	hypothetical protein	0.0161	0.2549	0.8431

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: CHEMBL3552673

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1159310