TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.516 | Formula: C22H34N2O4
H donors: 0 H acceptors: 2 LogP: 2.55 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)CCCC(=O)N(CC1CCCN(C1)CCc1ccc(cc1)OC)C
InChi: 1S/C22H34N2O4/c1-23(21(25)7-4-8-22(26)28-3)16-19-6-5-14-24(17-19)15-13-18-9-11-20(27-2)12-10-18/h9-12,19H,4-8,13-17H2,1-3H3
InChiKey: HOBXBGMXCJVZNX-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
Echinococcus granulosus	cyclin B	0.0077	0.033	0.0725
Schistosoma mansoni	cyclin d	0.0676	0.4161	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0077	0.033	0.0794
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0031	0.0031	0.0075
Trichomonas vaginalis	conserved hypothetical protein	0.0077	0.033	0.5
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0031	0.0075
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0231	0.0485
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0047	0.0112
Trichomonas vaginalis	cyclins, putative	0.0077	0.033	0.5
Echinococcus multilocularis	cyclins	0.0077	0.033	0.03
Giardia lamblia	Hypothetical protein	0.0077	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0676	0.4161	1
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0077	0.033	0.03
Trypanosoma brucei	mitotic cyclin 6	0.0077	0.033	1
Echinococcus granulosus	cyclins	0.0077	0.033	0.0725
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0031	0.0075
Echinococcus granulosus	cyclins	0.0077	0.033	0.0725
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0031	0.0075
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.05
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0634	0.1524
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0077	0.033	0.0794
Trichomonas vaginalis	cyclin B3, putative	0.0077	0.033	0.5
Echinococcus multilocularis	cyclins	0.0077	0.033	0.03
Trypanosoma cruzi	cyclin 6, putative	0.0077	0.033	1
Schistosoma mansoni	cyclin B3	0.0077	0.033	0.0725
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0077	0.033	0.0794
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0144	0.0347
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0031	0.0075
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0031	0.0075
Trichomonas vaginalis	cyclin A, putative	0.0077	0.033	0.5
Schistosoma mansoni	cyclin B	0.0077	0.033	0.0725
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0031	0.0075
Onchocerca volvulus	Huntingtin homolog	0.0125	0.0634	1
Trichomonas vaginalis	cyclin B, putative	0.0077	0.033	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0031	0.0075
Echinococcus granulosus	cyclins	0.0077	0.033	0.0725
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0676	0.4161	1
Echinococcus granulosus	cyclins	0.0077	0.033	0.0725
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0031	0.0075
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0031	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0047	0.0112
Trichomonas vaginalis	cyclins, putative	0.0077	0.033	0.5
Echinococcus multilocularis	cyclins	0.0077	0.033	0.03
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0231	0.5
Trichomonas vaginalis	cyclin D, putative	0.0077	0.033	0.5
Entamoeba histolytica	cyclin family protein	0.0077	0.033	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.05
Brugia malayi	ecdysteroid receptor	0.0031	0.0031	0.0075
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0238	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0231	0.0485
Trichomonas vaginalis	cyclins, putative	0.0077	0.033	0.5
Echinococcus granulosus	cyclin b3	0.0077	0.033	0.0725
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0231	0.5
Giardia lamblia	Cyclin A	0.0077	0.033	0.5
Trichomonas vaginalis	cyclin B, putative	0.0077	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0634	0.1524
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0238	0.0571
Entamoeba histolytica	cyclin, putative	0.0077	0.033	0.5
Echinococcus multilocularis	cyclins	0.0077	0.033	0.03
Trichomonas vaginalis	cyclins, putative	0.0077	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0658	0.4042	0.9713
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0144	0.0347
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0031	0.0075
Echinococcus granulosus	G1:S specific cyclin D1	0.0676	0.4161	1
Schistosoma mansoni	cyclins	0.0077	0.033	0.0725
Brugia malayi	TAR-binding protein	0.0063	0.0238	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Trichomonas vaginalis	cyclin D, putative	0.0077	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Entamoeba histolytica	cyclin family protein	0.0077	0.033	0.5
Trichomonas vaginalis	cyclin B, putative	0.0077	0.033	0.5
Trichomonas vaginalis	cyclin B, putative	0.0077	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Trypanosoma cruzi	cyclin, putative	0.0077	0.033	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0144	0.0347
Echinococcus multilocularis	cyclins	0.0077	0.033	0.03
Echinococcus multilocularis	G1:S specific cyclin D1	0.0676	0.4161	0.4143
Entamoeba histolytica	cyclin, putative	0.0077	0.033	0.5
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0238	0.0207
Echinococcus granulosus	cyclin B3 1	0.0077	0.033	0.0725
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0031	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0077	0.033	0.0794
Toxoplasma gondii	hypothetical protein	0.0059	0.0211	0.9117
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0031	0.0075
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0231	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0031	0.0075
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0231	0.5
Trichomonas vaginalis	cyclins, putative	0.0077	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0031	0.0075
Brugia malayi	nuclear hormone receptor	0.0031	0.0031	0.0075
Brugia malayi	steroid hormone receptor	0.0031	0.0031	0.0075
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0231	0.0201
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0077	0.033	0.0725
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.05
Echinococcus granulosus	cyclins	0.0077	0.033	0.0725
Onchocerca volvulus	Huntingtin homolog	0.0125	0.0634	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0231	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0238	0.0571
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0031	0.0075
Echinococcus multilocularis	cyclin B	0.0077	0.033	0.03
Brugia malayi	RNA binding protein	0.0063	0.0238	0.0571
Brugia malayi	hypothetical protein	0.0125	0.0634	0.1524
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0031	0.0075
Trichomonas vaginalis	cyclin B, putative	0.0077	0.033	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0031	0.0075
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0031	0.0075
Onchocerca volvulus		0.0077	0.033	0.4962
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0077	0.033	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0031	0.0075
Loa Loa (eye worm)	cyclin domain-containing protein	0.0077	0.033	0.0794
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0231	0.0485
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0231	0.7006
Echinococcus multilocularis	cyclin B3 1	0.0077	0.033	0.03
Echinococcus multilocularis	cyclin b3	0.0077	0.033	0.03
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.05
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0144	0.0347
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0238	0.0571
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0031	0.0075
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0031	0.0075
Trypanosoma cruzi	cyclin, putative	0.0077	0.033	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0031	0.0075
Plasmodium falciparum	cyclin	0.0077	0.033	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0047	0.0038
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0238	0.05
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0077	0.033	1
Giardia lamblia	G2/mitotic-specific cyclin B	0.0077	0.033	0.5
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0238	0.05
Echinococcus multilocularis	cyclins	0.0077	0.033	0.03
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0031	0.0075
Leishmania major	cyclin	0.0077	0.033	1
Echinococcus multilocularis	cyclins	0.0077	0.033	0.03
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0031	0.0075
Loa Loa (eye worm)	hypothetical protein	0.0077	0.033	0.0794
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0031	0.0075

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 776069