TDR Targets

Basic information

Technical information

TDR Targets ID: 1311279
Name: N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] -N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfo namide
MW: 436.525 | Formula: C20H28N4O5S
H donors: 0 H acceptors: 5 LogP: 1.21 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC1CC(C)CN(C1)C(=O)CN(S(=O)(=O)c1ccc2c(c1)c(=O)n(c(=O)n2C)C)C
InChi: 1S/C20H28N4O5S/c1-13-8-14(2)11-24(10-13)18(25)12-21(3)30(28,29)15-6-7-17-16(9-15)19(26)23(5)20(27)22(17)4/h6-7,9,13-14H,8,10-12H2,1-5H3
InChiKey: LLKGTCRJGXMBDS-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

N-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]-N,1,3-trimethyl-2,4-dioxo-quinazoline-6-sulfonamide
N-[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxo-6-quinazolinesulfonamide
N-[2-(3,5-dimethyl-1-piperidyl)-2-keto-ethyl]-2,4-diketo-N,1,3-trimethyl-quinazoline-6-sulfonamide
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxo-ethyl]-N,1,3-trimethyl-2,4-dioxo-quinazoline-6-sulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	RNA binding protein	0.0066	0.32	0.335
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0134	0.8244	0.9127
Brugia malayi	nuclear receptor RXR	0.0129	0.7904	0.8775
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0134	0.8244	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0134	0.8244	1
Loa Loa (eye worm)	steroid hormone receptor	0.0134	0.8244	0.9127
Schistosoma mansoni	chromobox protein	0.0084	0.4566	0.5539
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0276	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.9007	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0134	0.8244	0.9153
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0134	0.8244	0.9153
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0134	0.8244	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0134	0.8244	1
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0158	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0134	0.8244	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0134	0.8244	1
Brugia malayi	nuclear receptor NHR-88	0.0134	0.8244	0.9153
Brugia malayi	RNA binding protein	0.0066	0.32	0.3553
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0129	0.7904	0.8736
Brugia malayi	Heterochromatin protein 1	0.0084	0.4566	0.507
Schistosoma mansoni	RAR-like nuclear receptor	0.0134	0.8244	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0134	0.8244	0.9127
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0134	0.8244	1
Schistosoma mansoni	hypothetical protein	0.0041	0.1387	0.1682
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.2096	0.1397
Echinococcus multilocularis	chromobox protein 1	0.0084	0.4566	0.5539
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0134	0.8244	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.7904	0.8736
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2796	0.2886
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.32	0.3553
Schistosoma mansoni	coup transcription factor	0.0134	0.8244	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0134	0.8244	0.9153
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0134	0.8244	0.9153
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0134	0.8244	0.9153
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.8244	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0134	0.8244	0.9153
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0134	0.8244	0.9127
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0129	0.7904	0.9587
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0134	0.8244	0.9127
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0276	1
Mycobacterium tuberculosis	Probable aminotransferase	0.0158	1	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0134	0.8244	1
Echinococcus granulosus	chromobox protein 1	0.0084	0.4566	0.5539
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0134	0.8244	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0276	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0134	0.8244	0.9153
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.32	0.3882
Mycobacterium ulcerans	hypothetical protein	0.0158	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0134	0.8244	0.9153
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0158	1	1
Brugia malayi	MH2 domain containing protein	0.0144	0.9007	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.32	0.335
Brugia malayi	TAR-binding protein	0.0066	0.32	0.3553
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0134	0.8244	1
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.1831	0.1109
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0134	0.8244	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0129	0.7904	0.9587
Echinococcus granulosus	chromobox protein 1	0.0084	0.4566	0.5539
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.32	0.3882
Brugia malayi	Steroid receptor seven-up type 2	0.0134	0.8244	0.9153
Leishmania major	hypothetical protein, conserved	0.0026	0.0276	0.5
Echinococcus granulosus	FTZ F1 alpha	0.0134	0.8244	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0134	0.8244	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0134	0.8244	0.9153
Brugia malayi	hypothetical protein	0.0129	0.7904	0.8775
Loa Loa (eye worm)	hypothetical protein	0.0129	0.7904	0.8736
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0158	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0134	0.8244	0.9153
Echinococcus multilocularis	chromobox protein 1	0.0084	0.4566	0.5539
Brugia malayi	Nuclear hormone receptor-like 1	0.0129	0.7904	0.8775
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0134	0.8244	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Loa Loa (eye worm)	hypothetical protein	0.0129	0.7904	0.8736
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.1831	0.1052
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0022	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0134	0.8244	0.9127
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.4566	0.4085
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0134	0.8244	0.9127
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0129	0.7904	0.9587
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.32	0.3882
Onchocerca volvulus	Bile acid receptor homolog	0.0134	0.8244	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0134	0.8244	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0134	0.8244	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0134	0.8244	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0276	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0134	0.8244	0.9153
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0134	0.8244	0.9153
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0134	0.8244	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1387	0.154
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0276	1
Brugia malayi	hypothetical protein	0.0129	0.7904	0.8775
Onchocerca volvulus		0.0134	0.8244	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0129	0.7904	0.8775
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.32	0.3882
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.2096	0.1421
Brugia malayi	nuclear hormone receptor	0.0134	0.8244	0.9153
Schistosoma mansoni	chromobox protein	0.0084	0.4566	0.5539
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0276	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2796	0.3104
Loa Loa (eye worm)	hypothetical protein	0.0129	0.7904	0.8736
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.32	0.3882
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.32	0.3882
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0022	0	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0276	1
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.4566	0.4914
Echinococcus granulosus	tar DNA binding protein	0.0066	0.32	0.3882
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0134	0.8244	1
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.4566	0.4085
Brugia malayi	steroid hormone receptor	0.0134	0.8244	0.9153
Brugia malayi	hypothetical protein	0.0026	0.0276	0.0306
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0129	0.7904	0.9587
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0134	0.8244	1
Schistosoma mansoni	nuclear hormone receptor	0.0134	0.8244	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0134	0.8244	0.9153
Loa Loa (eye worm)	hypothetical protein	0.0037	0.1078	0.0918
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.9007	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.2796	0.2886
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.2096	0.1397
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0134	0.8244	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0134	0.8244	0.9153
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Brugia malayi	chromobox protein homolog 3	0.0047	0.1831	0.2033
Echinococcus granulosus	ecdysone induced protein 78C	0.0134	0.8244	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0134	0.8244	1
Loa Loa (eye worm)	hypothetical protein	0.0129	0.7904	0.8736
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1387	0.1273
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.1831	0.1109
Loa Loa (eye worm)	hypothetical protein	0.0134	0.8244	0.9127
Schistosoma mansoni	thyroid hormone receptor	0.0134	0.8244	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0134	0.8244	0.9127
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2796	0.3104
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1831	0.1782
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0134	0.8244	1
Brugia malayi	ecdysteroid receptor	0.0134	0.8244	0.9153
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0134	0.8244	1
Echinococcus multilocularis	FTZ F1 alpha	0.0134	0.8244	1
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.32	0.335
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0134	0.8244	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0134	0.8244	0.9153

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1426221

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 1311279