TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 377.479 | Formula: C23H27N3O2
H donors: 2 H acceptors: 2 LogP: 2.72 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: C=CCNC(=O)CC1N(CCNC1=O)CC(c1ccccc1)c1ccccc1
InChi: 1S/C23H27N3O2/c1-2-13-24-22(27)16-21-23(28)25-14-15-26(21)17-20(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-12,20-21H,1,13-17H2,(H,24,27)(H,25,28)
InChiKey: LJIZHNDHWHAKPJ-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
Loa Loa (eye worm)	hypothetical protein	0.016	0.1107	0.1107
Schistosoma mansoni	serine/threonine protein kinase	0.0446	0.3267	0.3195
Echinococcus granulosus	lamin dm0	0.0027	0.0106	0.016
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0106	0.0106
Loa Loa (eye worm)	pip kinase 2	0.016	0.1107	0.1107
Schistosoma mansoni	serine/threonine protein kinase	0.0446	0.3267	0.3195
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.024	0.024
Brugia malayi	Kinase associated domain 1 family protein	0.0443	0.3242	0.3234
Schistosoma mansoni	hypothetical protein	0.0443	0.3242	0.3169
Schistosoma mansoni	serine/threonine protein kinase	0.0446	0.3267	0.3195
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0443	0.3242	0.3242
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.024	0.0135
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0106	0.0106
Brugia malayi	Pip kinase protein 2	0.016	0.1107	0.1097
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.024	0.0361
Echinococcus multilocularis	hypothetical protein	0.0443	0.3242	0.4868
Brugia malayi	intermediate filament protein	0.0027	0.0106	0.0096
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.016	0.1107	0.1011
Echinococcus multilocularis	lamin dm0	0.0027	0.0106	0.016
Schistosoma mansoni	serine/threonine protein kinase	0.0446	0.3267	0.3195
Echinococcus multilocularis	lamin	0.0027	0.0106	0.016
Echinococcus multilocularis	maternal embryonic leucine zipper kinase	0.0895	0.6659	1
Echinococcus multilocularis	calcium activated potassium channel	0.0446	0.3267	0.4906
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.024	0.0361
Echinococcus granulosus	maternal embryonic leucine zipper kinase	0.0895	0.6659	1
Echinococcus multilocularis	phosphatidylinositol 5 phosphate 4 kinase type 2	0.016	0.1107	0.1663
Trichomonas vaginalis	CAMK family protein kinase	0.1338	1	1
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0446	0.3267	0.4906
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0106	0.0106
Echinococcus granulosus	calcium activated potassium channel	0.0446	0.3267	0.4906
Schistosoma mansoni	serine/threonine protein kinase	0.0446	0.3267	0.3195
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.024	0.0135
Loa Loa (eye worm)	CAMK/CAMKL/MELK protein kinase	0.1338	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.024	0.0135
Echinococcus granulosus	lamin	0.0027	0.0106	0.016
Schistosoma mansoni	serine/threonine kinase	0.1338	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.024	0.023
Schistosoma mansoni	hypothetical protein	0.0443	0.3242	0.3169
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0446	0.3267	0.4906
Echinococcus multilocularis	serine:threonine protein kinase MARK2	0.0446	0.3267	0.4906
Onchocerca volvulus		0.016	0.1107	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.024	0.0361
Echinococcus granulosus	intermediate filament protein	0.0027	0.0106	0.016
Echinococcus granulosus	phosphatidylinositol 5 phosphate 4 kinase type 2	0.016	0.1107	0.1663
Echinococcus multilocularis	musashi	0.0027	0.0106	0.016
Echinococcus granulosus	serine:threonine protein kinase MARK2	0.0446	0.3267	0.4906
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0106	0.0096
Schistosoma mansoni	phosphatidylinositol-4-phosphate 5-kinase type II	0.016	0.1107	0.1011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.024	0.0361

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 776689