TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 371.434 | Formula: C19H25N5O3
H donors: 1 H acceptors: 4 LogP: -0.32 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COCc1cn(c(n1)Cn1c(=O)n(c2c1cncc2)C1CC1)CCCCO
InChi: 1S/C19H25N5O3/c1-27-13-14-11-22(8-2-3-9-25)18(21-14)12-23-17-10-20-7-6-16(17)24(19(23)26)15-4-5-15/h6-7,10-11,15,25H,2-5,8-9,12-13H2,1H3
InChiKey: COVNRUWVHCJXQZ-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
Brugia malayi	RNA binding protein	0.0067	0.0223	0.0223
Toxoplasma gondii	histone deacetylase SIR2-like	0.0328	0.1406	1
Schistosoma mansoni	transcription factor LCR-F1	0.0117	0.0449	0.0315
Echinococcus granulosus	NAD dependent deacetylase sirtuin 3	0.2224	1	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 1	0.0328	0.1406	0.1285
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0223	0.0086
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0223	0.0179
Loa Loa (eye worm)	sirtuin 4	0.0328	0.1406	0.1367
Brugia malayi	hypothetical protein	0.0028	0.0045	0.0045
Schistosoma mansoni	hypothetical protein	0.0367	0.1582	0.1464
Brugia malayi	MH2 domain containing protein	0.0132	0.0517	0.0517
Loa Loa (eye worm)	hypothetical protein	0.0328	0.1406	0.1367
Schistosoma mansoni	chromatin regulatory protein sir2	0.2224	1	1
Leishmania major	silent information regulator 2, putative	0.2224	1	1
Toxoplasma gondii	histone deacetylase SIR2	0.0328	0.1406	1
Mycobacterium tuberculosis	Transcriptional regulatory protein	0.0328	0.1406	0.5
Schistosoma mansoni	chromatin regulatory protein sir2	0.0328	0.1406	0.1285
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0223	0.0086
Schistosoma mansoni	chromatin regulatory protein sir2	0.0328	0.1406	0.1285
Giardia lamblia	Hypothetical protein	0.2224	1	1
Entamoeba histolytica	hypothetical protein, conserved	0.0328	0.1406	0.1002
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0223	0.0223
Echinococcus granulosus	NAD dependent deacetylase sirtuin 6	0.0328	0.1406	0.1285
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.2224	1	1
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.2224	1	1
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.2224	1	1
Brugia malayi	hypothetical protein	0.0117	0.0449	0.0449
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 6	0.0328	0.1406	0.1285
Loa Loa (eye worm)	transcriptional regulator	0.0328	0.1406	0.1367
Brugia malayi	NAD-dependent deacetylase SIRT1	0.0328	0.1406	0.1406
Entamoeba histolytica	NAD-dependent deacetylase 1, putative	0.0328	0.1406	0.1002
Loa Loa (eye worm)	transcriptional regulator	0.0328	0.1406	0.1367
Loa Loa (eye worm)	transcriptional regulator	0.2224	1	1
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0223	0.0086
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0328	0.1406	0.1367
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0117	0.0449	0.0315
Trypanosoma brucei	Silent information regulator 2 related protein 3	0.0328	0.1406	0.1367
Mycobacterium ulcerans	NAD-dependent deacetylase	0.0328	0.1406	0.5
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.0328	0.1406	0.1002
Schistosoma mansoni	chromatin regulatory protein sir2	0.2224	1	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0117	0.0449	0.0315
Plasmodium falciparum	transcriptional regulatory protein sir2b	0.0328	0.1406	1
Entamoeba histolytica	Sir2 family transcriptional regulator, putative	0.2224	1	1
Plasmodium falciparum	transcriptional regulatory protein sir2a	0.0328	0.1406	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0223	0.0179
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 1	0.0328	0.1406	0.1285
Schistosoma mansoni	chromatin regulatory protein sir2	0.0328	0.1406	0.1285
Leishmania major	sir2-family protein-like protein	0.0328	0.1406	0.1367
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0138	0.0094
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0223	0.0086
Trypanosoma brucei	Silent information regulator 2 related protein 1	0.2224	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0138	0.0138
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0223	0.0086
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0328	0.1406	0.1406
Schistosoma mansoni	chromatin regulatory protein sir2	0.0328	0.1406	0.1285
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.0517	0.0474
Schistosoma mansoni	hypothetical protein	0.0367	0.1582	0.1464
Echinococcus granulosus	geminin	0.0367	0.1582	0.1464
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0223	0.0179
Mycobacterium ulcerans	Sir2-like regulatory protein	0.0328	0.1406	0.5
Schistosoma mansoni	chromatin regulatory protein sir2	0.2224	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0328	0.1406	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0223	0.0086
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0223	0.0086
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.0517	0.0474
Echinococcus multilocularis	chromatin regulatory protein sir2	0.2224	1	1
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 7	0.0328	0.1406	0.1285
Trichomonas vaginalis	chromatin regulatory protein sir2, putative	0.2224	1	1
Echinococcus granulosus	NAD dependent deacetylase sirtuin 7	0.0328	0.1406	0.1285
Trypanosoma cruzi	Silent information regulator 2 related protein 1	0.2224	1	1
Echinococcus multilocularis	geminin	0.0367	0.1582	0.1464
Trypanosoma cruzi	Silent information regulator 2 related protein 3	0.0328	0.1406	0.1367
Schistosoma mansoni	hypothetical protein	0.0117	0.0449	0.0315
Trypanosoma brucei	SIR2-like protein 4, putative	0.0328	0.1406	0.1367
Echinococcus multilocularis	NAD dependent deacetylase sirtuin 3	0.2224	1	1
Leishmania major	NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe	0.0328	0.1406	0.1367
Echinococcus granulosus	chromatin regulatory protein sir2	0.2224	1	1
Brugia malayi	transcriptional regulator, Sir2 family protein	0.0328	0.1406	0.1406
Plasmodium vivax	NAD-dependent deacetylase, putative	0.0328	0.1406	1
Brugia malayi	TAR-binding protein	0.0067	0.0223	0.0223

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: CHEMBL2331590

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 1734470