TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 329.437 | Formula: C19H27N3O2
H donors: 1 H acceptors: 1 LogP: 3.06 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1n(C)nc(c1CNC1CCCOc2c1cccc2)C(C)C
InChi: 1S/C19H27N3O2/c1-13(2)18-15(19(23-4)22(3)21-18)12-20-16-9-7-11-24-17-10-6-5-8-14(16)17/h5-6,8,10,13,16,20H,7,9,11-12H2,1-4H3
InChiKey: QEMFFJWVDPIDMG-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
Onchocerca volvulus		0.0038	0.0049	0.5
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.009	0.0399	0.5
Trypanosoma brucei	trans-sialidase, putative	0.0308	0.1884	1
Trypanosoma cruzi	trans-sialidase, putative	0.0308	0.1884	0.9998
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0053	0.015	0.0547
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.009	0.0399	0.0351
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0053	0.015	0.0547
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0053	0.015	1
Onchocerca volvulus		0.0038	0.0049	0.5
Schistosoma mansoni	peptidase Clp (S14 family)	0.009	0.0399	0.0351
Brugia malayi	MH2 domain containing protein	0.0104	0.0499	0.0452
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.009	0.0399	0.5
Trypanosoma cruzi	trans-sialidase, putative	0.0308	0.1884	1
Trypanosoma brucei	trans-sialidase, putative	0.0308	0.1884	1
Giardia lamblia	Kinase, CMGC MAPK	0.0053	0.015	1
Trypanosoma brucei	trans-sialidase, putative	0.0308	0.1884	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0059	0.0189	0.5
Echinococcus multilocularis	geminin	0.0194	0.1109	0.1065
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.1503	1	1
Onchocerca volvulus	4.1 G protein, putative homolog	0.0038	0.0049	0.5
Trichomonas vaginalis	Sialidase-1 precursor, putative	0.0995	0.655	1
Onchocerca volvulus		0.0038	0.0049	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0059	0.0189	0.4744
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.015	0.0547
Onchocerca volvulus		0.0038	0.0049	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0104	0.0499	0.0452
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.009	0.0399	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.015	0.0547
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Trypanosoma brucei	trans-sialidase	0.0308	0.1884	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Onchocerca volvulus		0.0038	0.0049	0.5
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0038	0.0049	0.5
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0053	0.015	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.015	0.0154
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0059	0.0189	0.5
Brugia malayi	MAP kinase sur-1	0.0053	0.015	0.0101
Onchocerca volvulus		0.0038	0.0049	0.5
Onchocerca volvulus		0.0038	0.0049	0.5
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Onchocerca volvulus		0.0038	0.0049	0.5
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.015	0.0154
Onchocerca volvulus		0.0038	0.0049	0.5
Onchocerca volvulus		0.0038	0.0049	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.009	0.0399	1
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.015	0.0101
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.009	0.0399	1
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.015	0.0101
Trypanosoma brucei	protein kinase, putative	0.0053	0.015	0.0547
Schistosoma mansoni	hypothetical protein	0.0194	0.1109	0.1065
Onchocerca volvulus		0.0038	0.0049	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0995	0.655	1
Onchocerca volvulus		0.0038	0.0049	0.5
Loa Loa (eye worm)	hypothetical protein	0.009	0.0399	0.0351
Schistosoma mansoni	hypothetical protein	0.0194	0.1109	0.1065
Onchocerca volvulus		0.0038	0.0049	0.5
Echinococcus granulosus	geminin	0.0194	0.1109	0.1065
Trypanosoma brucei	trans-sialidase, putative	0.0308	0.1884	1
Onchocerca volvulus		0.0038	0.0049	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.1503	1	1
Onchocerca volvulus		0.0038	0.0049	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.015	0.0101
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.009	0.0399	0.5
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0059	0.0189	0.0141
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.015	0.0101
Onchocerca volvulus		0.0038	0.0049	0.5
Trypanosoma cruzi	trans-sialidase, putative	0.0308	0.1884	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0053	0.015	0.0547
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.1503	1	1
Schistosoma mansoni	microtubule-associated protein tau	0.0716	0.4655	0.4628
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.009	0.0399	1
Echinococcus granulosus	peptidase Clp S14 family	0.0059	0.0189	0.0141
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.1503	1	1
Onchocerca volvulus		0.0038	0.0049	0.5
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Trypanosoma cruzi	trans-sialidase, putative	0.0308	0.1884	1
Echinococcus granulosus	microtubule associated protein 2	0.0716	0.4655	0.4628
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Onchocerca volvulus		0.0038	0.0049	0.5
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.009	0.0399	0.5
Onchocerca volvulus		0.0038	0.0049	0.5
Brugia malayi	Probable ClpP-like protease	0.009	0.0399	0.0351
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0038	0.0049	0.5
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.009	0.0399	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Echinococcus multilocularis	microtubule associated protein 2	0.0716	0.4655	0.4628
Entamoeba histolytica	Pten 3-phosphoinositide phosphatase, putative	0.0038	0.0049	0.5
Trypanosoma brucei	trans-sialidase, putative	0.0308	0.1884	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.009	0.0399	0.5
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.009	0.0399	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.015	0.0101
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.015	0.0154
Trypanosoma cruzi	trans-sialidase, putative	0.0308	0.1884	0.9998
Onchocerca volvulus		0.0038	0.0049	0.5
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.009	0.0399	0.0351
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.015	0.0154
Trypanosoma cruzi	trans-sialidase, putative	0.0308	0.1884	0.9998
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.015	0.0101
Onchocerca volvulus		0.0038	0.0049	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0104	0.0499	0.0452
Trypanosoma cruzi	trans-sialidase, putative	0.0308	0.1884	0.9998
Onchocerca volvulus		0.0038	0.0049	0.5
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0053	0.015	0.3751
Onchocerca volvulus		0.0038	0.0049	0.5
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0308	0.1884	1
Trichomonas vaginalis	conserved hypothetical protein	0.0619	0.3994	0.6068

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: CHEMBL3488938

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2069407