TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 320.427 | Formula: C18H28N2O3
H donors: 1 H acceptors: 1 LogP: 1.71 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COCCNC(=O)C1(C)CCCN(C1)Cc1ccc(cc1)OC
InChi: 1S/C18H28N2O3/c1-18(17(21)19-10-12-22-2)9-4-11-20(14-18)13-15-5-7-16(23-3)8-6-15/h5-8H,4,9-14H2,1-3H3,(H,19,21)
InChiKey: DXBMPYAHZSFZEC-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
Trichomonas vaginalis	conserved hypothetical protein	0.0181	0.0964	1
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0181	0.0964	0.0638
Echinococcus multilocularis	regulator of G protein signaling 7	0.0181	0.0964	0.0638
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0964	0.0964
Echinococcus granulosus	Regulator of G protein signaling 20	0.0181	0.0964	0.0638
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0181	0.0964	0.0964
Giardia lamblia	Kinase, AGC AKT	0.0088	0.0226	0.5
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0181	0.0964	0.0638
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0186	0.1006	0.1006
Brugia malayi	PXA domain containing protein	0.0181	0.0964	0.0964
Echinococcus granulosus	axis inhibition protein axin	0.0181	0.0964	0.0638
Echinococcus granulosus	expressed protein	0.0181	0.0964	0.0638
Echinococcus granulosus	regulator of G protein signaling 3	0.0181	0.0964	0.0638
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0181	0.0964	0.0541
Echinococcus multilocularis	axis inhibition protein axin	0.0181	0.0964	0.0638
Brugia malayi	regulator of G-protein signaling egl-10	0.0181	0.0964	0.0964
Brugia malayi	Protein kinase domain containing protein	0.0454	0.315	0.315
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0964	0.0964
Brugia malayi	hypothetical protein	0.0181	0.0964	0.0964
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0181	0.0964	0.0541
Echinococcus granulosus	regulator of G protein signaling 3	0.0181	0.0964	0.0638
Schistosoma mansoni	serine/threonine protein kinase	0.0186	0.1006	0.0585
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0181	0.0964	0.0638
Echinococcus granulosus	regulator of G protein signaling 7	0.0181	0.0964	0.0638
Echinococcus multilocularis	regulator of G protein signaling 3	0.0181	0.0964	0.0638
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.1129	0.8556	1
Schistosoma mansoni	regulator of G protein signaling	0.0181	0.0964	0.0541
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0964	0.0964
Echinococcus granulosus	axis inhibition protein axin	0.0181	0.0964	0.0638
Entamoeba histolytica	hypothetical protein	0.0181	0.0964	1
Echinococcus multilocularis	axis inhibition protein axin	0.0181	0.0964	0.0638
Brugia malayi	regulator of G-protein signaling rgs-7	0.0181	0.0964	0.0964
Schistosoma mansoni	z-protein (S1r protein)	0.0181	0.0964	0.0541
Echinococcus multilocularis	regulator of G protein signaling	0.0181	0.0964	0.0638
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0088	0.0226	0.5
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.1129	0.8556	0.8556
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0964	0.0964
Echinococcus multilocularis	regulator of G protein signaling 7	0.0181	0.0964	0.0638
Brugia malayi	ribosomal protein S6 kinase alpha 3	0.0088	0.0226	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0964	0.0964
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0964	0.0964
Trypanosoma brucei	rac serine-threonine kinase, putative	0.006	0	0.5
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0181	0.0964	0.0541
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0454	0.315	0.315
Entamoeba histolytica	hypothetical protein	0.0181	0.0964	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0181	0.0964	0.0638
Trichomonas vaginalis	conserved hypothetical protein	0.0181	0.0964	1
Schistosoma mansoni	regulator of G protein signaling	0.0181	0.0964	0.0541
Echinococcus multilocularis	regulator of G protein signaling 3	0.0181	0.0964	0.0638
Trichomonas vaginalis	conserved hypothetical protein	0.0181	0.0964	1
Schistosoma mansoni	axis inhibition protein axin	0.0181	0.0964	0.0541
Brugia malayi	hypothetical protein	0.0181	0.0964	0.0964
Brugia malayi	A-kinase anchor protein 10, precursor	0.0181	0.0964	0.0964
Trichomonas vaginalis	conserved hypothetical protein	0.0181	0.0964	1
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0181	0.0964	1
Schistosoma mansoni	regulator of G protein signaling	0.0181	0.0964	0.0541
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0186	0.1006	0.0689
Brugia malayi	PXA domain containing protein	0.0181	0.0964	0.0964
Echinococcus multilocularis	expressed protein	0.0181	0.0964	0.0638
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.1129	0.8556	0.8556
Entamoeba histolytica	hypothetical protein	0.0181	0.0964	1
Trichomonas vaginalis	conserved hypothetical protein	0.0181	0.0964	1
Schistosoma mansoni	regulator of G protein signaling	0.0181	0.0964	0.0541
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0181	0.0964	0.0964
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1129	0.8556	0.8556
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.131	1	1
Toxoplasma gondii	AGC kinase	0.006	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0181	0.0964	1
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.1129	0.8556	1
Loa Loa (eye worm)	PXA domain-containing protein	0.0181	0.0964	0.0964
Onchocerca volvulus		0.0149	0.0715	1
Schistosoma mansoni	serine/threonine protein kinase	0.0149	0.0715	0.028
Schistosoma mansoni	regulator of G protein signaling	0.0181	0.0964	0.0541
Schistosoma mansoni	axis inhibition protein axin	0.0181	0.0964	0.0541
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0116	0.0447	0.0447
Echinococcus granulosus	rho-associated protein kinase 1	0.0149	0.0715	0.033
Schistosoma mansoni	serine/threonine protein kinase	0.131	1	1
Echinococcus multilocularis	rho associated protein kinase	0.0149	0.0715	0.033
Schistosoma mansoni	serine/threonine protein kinase	0.0186	0.1006	0.0585
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0181	0.0964	0.0964
Loa Loa (eye worm)	RGS-3 protein	0.0181	0.0964	0.0964
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0186	0.1006	0.0689

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2362480

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1749528