TDR Targets

Basic information

Technical information

TDR Targets ID: 666895
Name: ethyl 4-[[(Z)-[1-(4-methylphenyl)-2,4,6-triox o-1,3-diazinan-5-ylidene]methyl]amino]benzoat e
MW: 393.393 | Formula: C21H19N3O5
H donors: 2 H acceptors: 4 LogP: 2.98 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc(cc1)N/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
InChi: 1S/C21H19N3O5/c1-3-29-20(27)14-6-8-15(9-7-14)22-12-17-18(25)23-21(28)24(19(17)26)16-10-4-13(2)5-11-16/h4-12,22H,3H2,1-2H3,(H,23,25,28)/b17-12-
InChiKey: RJBLFNZKGJEULE-ATVHPVEESA-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

ethyl 4-[[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]amino]benzoate
4-[[(Z)-[1-(4-methylphenyl)-2,4,6-trioxo-5-hexahydropyrimidinylidene]methyl]amino]benzoic acid ethyl ester
4-[[(Z)-[2,4,6-triketo-1-(4-methylphenyl)hexahydropyrimidin-5-ylidene]methyl]amino]benzoic acid ethyl ester
AK-968/15611402
ZINC02091429

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
Plasmodium vivax	vivapain-2	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.5522	0.5522
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.3432	0.2757
Onchocerca volvulus		0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0067	0.3432	0.3432
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0088	0.5522	0.5061
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1342	0.1342
Brugia malayi	cathepsin F-like cysteine proteinase	0.0043	0.0932	0.0932
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1342	0.1342
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0131	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0067	0.3432	0.2414
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0131	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1342	0.1342
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0131	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0067	0.3432	0.2757
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Entamoeba histolytica	cysteine protease, putative	0.0131	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0067	0.3432	0.3432
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0088	0.5522	0.5522
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0932	0.0932
Entamoeba histolytica	cysteine proteinase, putative	0.0131	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0088	0.5522	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0043	0.0932	0.0932
Echinococcus granulosus	cathepsin l1	0.0131	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0131	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0131	1	0.5
Plasmodium vivax	vivapain-3	0.0067	0.3432	0.2757
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0067	0.3432	0.3432
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.1641	0.1641
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Brugia malayi	Cathepsin L-like precursor	0.0131	1	1
Echinococcus granulosus	cysteine protease	0.0067	0.3432	0.2414
Brugia malayi	cathepsin L-like precursor	0.0088	0.5522	0.5522
Echinococcus multilocularis	cathepsin L cysteine protease	0.0131	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0131	1	1
Brugia malayi	Cathepsin L-like precursor	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Plasmodium vivax	vivapain-1	0.0067	0.3432	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0067	0.3432	0.3432
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0067	0.3432	0.2757
Loa Loa (eye worm)	hypothetical protein	0.0131	1	1
Plasmodium vivax	vivapain-2	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0131	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0932	0.0932
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Onchocerca volvulus		0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.5522	0.5522
Echinococcus multilocularis	cysteine protease	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Echinococcus granulosus	cathepsin L	0.0067	0.3432	0.2414
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0043	0.0932	0.0932
Echinococcus multilocularis	cathepsin L cysteine protease	0.0131	1	1
Echinococcus multilocularis	cathepsin L	0.0067	0.3432	0.2414
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0043	0.0932	0.0932
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.5522	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Onchocerca volvulus		0.0131	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0067	0.3432	0.2757
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Loa Loa (eye worm)	ctsf protein	0.0131	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0131	1	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0932	0.0932
Loa Loa (eye worm)	hypothetical protein	0.0088	0.5522	0.5522
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0131	1	1
Onchocerca volvulus		0.0131	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0131	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0067	0.3432	0.3432
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0131	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1342	0.1342
Toxoplasma gondii	cathepsin CPL	0.0131	1	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0131	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0131	1	1
Trypanosoma cruzi	cysteine protease, putative	0.0067	0.3432	0.2757
Echinococcus multilocularis	cysteine protease	0.0131	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0088	0.5522	0.5522
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Brugia malayi	Cathepsin L-like precursor	0.0131	1	1
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1641	0.1641
Entamoeba histolytica	cysteine proteinase, putative	0.0131	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0131	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0131	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0131	1	1
Onchocerca volvulus		0.0131	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0131	1	1
Leishmania major	cathepsin L-like protease	0.0131	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Onchocerca volvulus		0.0131	1	1
Brugia malayi	Cathepsin L-like precursor	0.0088	0.5522	0.5522
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1342	0.1342
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0131	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0131	1	1
Brugia malayi	Cathepsin L-like precursor	0.0131	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0131	1	1
Brugia malayi	Cathepsin L-like precursor	0.0088	0.5522	0.5522
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1641	0.1641
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0131	1	1
Schistosoma mansoni	cathepsin s	0.0043	0.0932	0.0932
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0131	1	1
Onchocerca volvulus		0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1641	0.1641
Brugia malayi	Cathepsin L-like precursor	0.0131	1	1
Echinococcus granulosus	cathepsin l1	0.0088	0.5522	0.4828
Loa Loa (eye worm)	fibroinase	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0088	0.5522	0.3182
Loa Loa (eye worm)	cysteine protease	0.0131	1	1
Plasmodium vivax	unspecified product	0.0067	0.3432	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0131	1	1

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 666895