TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.413 | Formula: C17H25N5O
H donors: 1 H acceptors: 2 LogP: 1.68 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1n(C)nc(c1CNCc1ccnc(c1)N1CCCC1)C
InChi: 1S/C17H25N5O/c1-13-15(17(23-3)21(2)20-13)12-18-11-14-6-7-19-16(10-14)22-8-4-5-9-22/h6-7,10,18H,4-5,8-9,11-12H2,1-3H3
InChiKey: YTANTPAIDJCJMP-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	ubiquitin-specific peptidase 8 (C19 family)	0.0031	0.0148	0.0415
Onchocerca volvulus		0.0024	0	0.5
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0031	0.0148	0.0415
Entamoeba histolytica	hypothetical protein	0.0043	0.0447	1
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0031	0.0148	0.0148
Brugia malayi	RNA binding protein	0.0076	0.1222	1
Loa Loa (eye worm)	RNA binding protein	0.0076	0.1222	1
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0031	0.0148	0.1212
Echinococcus multilocularis	expressed protein	0.0451	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0148	0.1212
Echinococcus granulosus	tar DNA binding protein	0.0076	0.1222	0.1222
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.3566	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1222	0.3426
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0031	0.0148	0.0148
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0031	0.0148	0.5
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.2993	0.2993
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0031	0.0148	0.0148
Brugia malayi	TAR-binding protein	0.0076	0.1222	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.1222	1
Echinococcus granulosus	ubiquitin specific protease 41	0.0031	0.0148	0.0148
Echinococcus multilocularis	ubiquitin specific protease 41	0.0031	0.0148	0.0148
Entamoeba histolytica	hypothetical protein	0.0043	0.0447	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1222	0.3426
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0447	0.0447
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0447	0.0447
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0148	0.5
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0031	0.0148	0.5
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0031	0.0148	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1222	0.3426
Onchocerca volvulus	Protein ultraspiracle homolog	0.0024	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1222	0.3426
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.1222	1
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0031	0.0148	0.5
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0031	0.0148	0.5
Entamoeba histolytica	hypothetical protein	0.0043	0.0447	1
Entamoeba histolytica	hypothetical protein	0.0043	0.0447	1
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0031	0.0148	0.0148
Schistosoma mansoni	hypothetical protein	0.0043	0.0447	0.1252
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0447	0.1252
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.1222	1
Brugia malayi	hypothetical protein	0.0043	0.0447	0.3655
Schistosoma mansoni	hypothetical protein	0.0152	0.2993	0.8394
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.1222	0.3426
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0176	0.3566	0.3566
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0031	0.0148	0.5
Onchocerca volvulus	Bile acid receptor homolog	0.0024	0	0.5
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.2993	0.2993
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0024	0	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.1222	0.1222
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0031	0.0148	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0176	0.3566	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

ChEMBL: CHEMBL3496304

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 2068742