TDR Targets

Basic information

Technical information

TDR Targets ID: 1497156
Name: 1-(4-methylphenyl)-5-[1-(oxolan-2-ylmethylami no)ethylidene]-1,3-diazinane-2,4,6-trione
MW: 343.377 | Formula: C18H21N3O4
H donors: 2 H acceptors: 3 LogP: 2.54 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)N1C(=O)NC(=O)/C(=C(\NCC2CCCO2)/C)/C1=O
InChi: 1S/C18H21N3O4/c1-11-5-7-13(8-6-11)21-17(23)15(16(22)20-18(21)24)12(2)19-10-14-4-3-9-25-14/h5-8,14,19H,3-4,9-10H2,1-2H3,(H,20,22,24)/b15-12+
InChiKey: IBWNRWSQAOQOBO-NTCAYCPXSA-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

(5E)-1-(4-methylphenyl)-5-[1-(oxolan-2-ylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
1-(4-methylphenyl)-5-[1-(tetrahydrofuran-2-ylmethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione
(5E)-1-(4-methylphenyl)-5-[1-(tetrahydrofuran-2-ylmethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione
1-(4-methylphenyl)-5-[1-(2-tetrahydrofuranylmethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione
(5E)-1-(4-methylphenyl)-5-[1-(2-tetrahydrofuranylmethylamino)ethylidene]hexahydropyrimidine-2,4,6-trione
1-(4-methylphenyl)-5-[1-(tetrahydrofurfurylamino)ethylidene]barbituric acid
(5E)-1-(4-methylphenyl)-5-[1-(tetrahydrofurfurylamino)ethylidene]barbituric acid
5-[1-[(Tetrahydro-furan-2-ylmethyl)-amino]-eth-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione
MLS000557926
SMR000148642
STOCK4S-04988

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

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)	beta-lactamase	0.0042	0.0127	0.0217
Plasmodium falciparum	importin beta, putative	0.0034	0.0036	1
Echinococcus multilocularis	GPCR, family 2	0.0037	0.007	0.0035
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0127	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0717	0.1221
Onchocerca volvulus		0.0096	0.0717	1
Schistosoma mansoni	hypothetical protein	0.0198	0.1827	0.3069
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0037	0.007	0.012
Echinococcus multilocularis	acetylcholinesterase	0.057	0.5874	0.5859
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0037	0.007	0.0059
Echinococcus multilocularis	geminin	0.0198	0.1827	0.1798
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0096	0.0717	0.0684
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0036	0.2822
Onchocerca volvulus		0.0096	0.0717	1
Schistosoma mansoni	hypothetical protein	0.0037	0.007	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0127	0.0217
Schistosoma mansoni	hypothetical protein	0.0037	0.007	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0127	0.0217
Brugia malayi	Carboxylesterase family protein	0.0096	0.0717	0.1221
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.0251	0.0428
Brugia malayi	Carboxylesterase family protein	0.0096	0.0717	0.1221
Brugia malayi	Importin beta-1 subunit	0.0034	0.0036	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0717	0.1221
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0127	0.0156
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0251	0.0369
Brugia malayi	beta-lactamase	0.0042	0.0127	0.0217
Echinococcus multilocularis	neuroligin	0.0096	0.0717	0.0684
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0037	0.007	0.0059
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.036	0.359	0.6113
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0096	0.0717	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.0537	0.0914
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.057	0.5874	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0036	0.2822
Brugia malayi	latrophilin 2 splice variant baaae	0.008	0.0537	0.0914
Brugia malayi	beta-lactamase family protein	0.0042	0.0127	0.0217
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0127	0.0156
Schistosoma mansoni	gliotactin	0.0096	0.0717	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0127	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0127	0.0217
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.2599	1
Onchocerca volvulus		0.0096	0.0717	1
Loa Loa (eye worm)	hypothetical protein	0.057	0.5874	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0037	0.007	0.0035
Echinococcus granulosus	neuroligin	0.0096	0.0717	0.1167
Echinococcus granulosus	carboxylesterase 5A	0.057	0.5874	1
Loa Loa (eye worm)	carboxylesterase	0.0096	0.0717	0.1221
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0036	0.2822
Brugia malayi	Latrophilin receptor protein 2	0.0037	0.007	0.012
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0036	0.0061
Echinococcus granulosus	BC026374 protein S09 family	0.0096	0.0717	0.1167
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0096	0.0717	0.2386
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0127	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0127	0.0217
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0036	0.2822
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0096	0.0717	0.1167
Entamoeba histolytica	hypothetical protein	0.0042	0.0127	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0127	1
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0127	0.5
Onchocerca volvulus		0.0096	0.0717	1
Onchocerca volvulus		0.0096	0.0717	1
Echinococcus multilocularis	acetylcholinesterase	0.057	0.5874	0.5859
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0127	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.0251	0.0369
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0117	0.0939	0.1598
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0117	0.0939	0.1598
Echinococcus multilocularis	para nitrobenzyl esterase	0.0096	0.0717	0.0684
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0096	0.0717	0.1167
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0127	0.0092
Loa Loa (eye worm)	carboxylesterase	0.057	0.5874	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0251	0.0369
Echinococcus multilocularis	snurportin 1	0.036	0.359	0.3567
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0096	0.0717	0.2386
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0127	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0251	0.0369
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0037	0.007	0.0035
Echinococcus granulosus	para nitrobenzyl esterase	0.0096	0.0717	0.1167
Schistosoma mansoni	BC026374 protein (S09 family)	0.0096	0.0717	0.1167
Trichomonas vaginalis	spcc417.12 protein, putative	0.0096	0.0717	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0127	0.0156
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0127	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.0251	0.0428
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0127	0.0156
Schistosoma mansoni	hypothetical protein	0.0042	0.0127	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0037	0.007	0.012
Brugia malayi	hypothetical protein	0.0042	0.0127	0.0216
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0096	0.0717	0.2386
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0037	0.007	0.012
Mycobacterium ulcerans	carboxylesterase, LipT	0.0096	0.0717	1
Schistosoma mansoni	hypothetical protein	0.0037	0.007	0.0059
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0096	0.0717	0.0684
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0127	0.0217
Loa Loa (eye worm)	acetylcholinesterase 1	0.057	0.5874	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0717	0.1221
Brugia malayi	RNA, U transporter 1	0.0096	0.0713	0.1214
Entamoeba histolytica	hypothetical protein	0.0042	0.0127	0.5
Brugia malayi	Carboxylesterase family protein	0.0096	0.0717	0.1221
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0717	0.1221
Entamoeba histolytica	hypothetical protein	0.0042	0.0127	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0251	0.0216
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0127	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0127	0.0091
Echinococcus multilocularis	carboxylesterase 5A	0.057	0.5874	0.5859
Loa Loa (eye worm)	hypothetical protein	0.057	0.5874	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0717	0.1221
Echinococcus granulosus	acetylcholinesterase	0.057	0.5874	1
Toxoplasma gondii	ABC1 family protein	0.0042	0.0127	1
Echinococcus granulosus	geminin	0.0198	0.1827	0.3069
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0127	0.0217
Echinococcus granulosus	GPCR family 2	0.0037	0.007	0.0059
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.0251	0.0369
Brugia malayi	Carboxylesterase family protein	0.057	0.5874	1
Schistosoma mansoni	hypothetical protein	0.008	0.0537	0.0858
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0096	0.0717	0.1167
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0096	0.0717	0.1167
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0117	0.0939	0.1598
Loa Loa (eye worm)	hypothetical protein	0.0117	0.0939	0.1598
Schistosoma mansoni	hypothetical protein	0.0037	0.007	0.0059
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0717	0.1221
Loa Loa (eye worm)	carboxylesterase	0.0096	0.0717	0.1221
Schistosoma mansoni	hypothetical protein	0.036	0.359	0.6089
Entamoeba histolytica	hypothetical protein	0.0042	0.0127	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0717	0.1221
Brugia malayi	hypothetical protein	0.0096	0.0717	0.1221
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.0251	0.0216
Leishmania major	hypothetical protein, conserved	0.0042	0.0127	1
Echinococcus granulosus	snurportin 1	0.036	0.359	0.6089
Schistosoma mansoni	hypothetical protein	0.0198	0.1827	0.3069
Brugia malayi	Carboxylesterase family protein	0.057	0.5874	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0096	0.0717	0.1167
Brugia malayi	beta-lactamase family protein	0.0042	0.0127	0.0217
Schistosoma mansoni	acetylcholinesterase	0.0096	0.0717	0.1167
Echinococcus granulosus	acetylcholinesterase	0.057	0.5874	1
Brugia malayi	Carboxylesterase family protein	0.0096	0.0717	0.1221

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3981 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (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: CHEMBL1718618

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1497156