TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.514 | Formula: C25H28N4O4
H donors: 1 H acceptors: 4 LogP: 2.18 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COC(c1ccccc1)C(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)c1c(C)noc1C
InChi: 1S/C25H28N4O4/c1-15-21(13-27-24(30)23(32-4)18-8-6-5-7-9-18)20-10-11-29(14-19(20)12-26-15)25(31)22-16(2)28-33-17(22)3/h5-9,12,23H,10-11,13-14H2,1-4H3,(H,27,30)
InChiKey: BHKPKOULYWFNFN-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	Ataxin 2 N terminaldomain containing protein	0.0011	0.0554	0.2034
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0309	0.1134
Echinococcus granulosus	lamin	0.0027	0.2288	0.8405
Entamoeba histolytica	hypothetical protein	0.0006	0	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase 5, putative	0.0006	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0053	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0121	0.0182
Schistosoma mansoni	intermediate filament proteins	0.0027	0.2288	0.3451
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0716	0.0716
Brugia malayi	CXXC zinc finger family protein	0.0028	0.244	0.244
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.2288	0.2288
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.2723	0.2723
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.6632	0.6632
Brugia malayi	intermediate filament protein	0.0027	0.2288	0.2288
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase 5, putative	0.0006	0	0.5
Onchocerca volvulus		0.0028	0.244	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.52	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0053	1
Trichomonas vaginalis	helicase, putative	0.0006	0.0053	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.2029	0.3902
Loa Loa (eye worm)	hypothetical protein	0.0013	0.077	0.077
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0309	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0716	0.0716
Echinococcus granulosus	lamin dm0	0.0027	0.2288	0.8405
Echinococcus multilocularis	lamin	0.0027	0.2288	0.8405
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0006	0	0.5
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0006	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0121	0.0443
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.2723	0.4105
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0053	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.077	0.2829
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0006	0	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.2029	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0053	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.2288	0.2288
Onchocerca volvulus		0.0027	0.2288	0.938
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0053	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase, putative	0.0006	0	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	1	1
Echinococcus multilocularis	lamin dm0	0.0027	0.2288	0.8405
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.2029	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.2723	0.2723
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.2029	1
Schistosoma mansoni	cpg binding protein	0.003	0.2616	0.3944
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.2029	1
Schistosoma mansoni	cpg binding protein	0.003	0.2616	0.3944
Schistosoma mansoni	cpg binding protein	0.0028	0.244	0.3679
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.2723	1
Echinococcus multilocularis	GPCR, family 2	0.0031	0.2723	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.5899	0.8895
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0121	0.0443
Echinococcus granulosus	GPCR family 2	0.0031	0.2723	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	1	1
Brugia malayi	hypothetical protein	0.0016	0.1081	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0024	0.2029	0.2029
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.2029	1
Schistosoma mansoni	hypothetical protein	0.0067	0.6632	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0121	0.0443
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0053	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.2029	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.2235	0.2235
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0554	0.0835
Loa Loa (eye worm)	hypothetical protein	0.0031	0.2723	0.2723
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Schistosoma mansoni	hypothetical protein	0.0031	0.2723	0.4105
Echinococcus granulosus	intermediate filament protein	0.0027	0.2288	0.8405
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.6632	0.6632
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.2723	1
Onchocerca volvulus		0.0027	0.2288	0.938
Loa Loa (eye worm)	hypothetical protein	0.0027	0.2288	0.2288
Schistosoma mansoni	hypothetical protein	0.0031	0.2723	0.4105
Schistosoma mansoni	lamin	0.0027	0.2288	0.3451
Echinococcus multilocularis	cpg binding protein	0.003	0.2616	0.9607
Echinococcus granulosus	cpg binding protein	0.003	0.2616	0.9607
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0053	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.077	0.2829
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0053	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0926	0.0926
Brugia malayi	hypothetical protein	0.0024	0.2029	0.2029
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0006	0	0.5
Schistosoma mansoni	lamin	0.0027	0.2288	0.3451
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.244	0.244
Giardia lamblia	DUB-1	0.0006	0	0.5
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.2288	0.2288
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.2723	0.2723
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0053	1
Giardia lamblia	Hypothetical protein	0.0006	0	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.2723	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.2723	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0297	0.0297
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0006	0	0.5
Leishmania major	hypothetical protein, conserved	0.0024	0.2029	1
Echinococcus multilocularis	musashi	0.0027	0.2288	0.8405
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0926	0.0926
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0121	0.0443
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0309	0.0309
Schistosoma mansoni	hypothetical protein	0.0031	0.2723	0.4105
Loa Loa (eye worm)	hypothetical protein	0.0097	1	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0554	0.2034

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 809975