TDR Targets

Basic information

Technical information

TDR Targets ID: 1531162
Name: N-(2-ethylphenyl)-2,2-dioxo-3,4-dihydropyrido [6,1-c][1,2,4]thiadiazine-7-carboxamide
MW: 331.389 | Formula: C16H17N3O3S
H donors: 1 H acceptors: 3 LogP: 1.16 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccccc1NC(=O)c1ccc2=NS(=O)(=O)CCn2c1
InChi: 1S/C16H17N3O3S/c1-2-12-5-3-4-6-14(12)17-16(20)13-7-8-15-18-23(21,22)10-9-19(15)11-13/h3-8,11H,2,9-10H2,1H3,(H,17,20)
InChiKey: UROPEZUVQGOVEX-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-ethylphenyl)-2,2-diketo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide
T5563683
ZINC07038061

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	vitamin D (1,25- dihydroxyvitamin D3) 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
Brugia malayi	steroid hormone receptor	vitamin D (1,25- dihydroxyvitamin D3) receptor	427 aa	416 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0136	0.4092	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0304	1	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0043	0.079	0.2483
Schistosoma mansoni	rab6-interacting	0.0023	0.0088	0.0216
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0468
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0021	0.0019	0.0019
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0019	0.0041
Onchocerca volvulus		0.0023	0.0088	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0023	0.0088	0.0216
Loa Loa (eye worm)	doublecortin family protein	0.0023	0.0088	0.0468
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.0632	0.1399
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0074	0.1883	0.1883
Brugia malayi	Inositol-1	0.0043	0.079	0.4196
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Brugia malayi	Melibiase family protein	0.0074	0.1883	1
Trypanosoma brucei	unspecified product	0.0021	0.0019	0.0237
Mycobacterium ulcerans	DNA polymerase IV	0.0021	0.0019	0.0041
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0148	0.4519	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.3182	0.7774
Brugia malayi	hypothetical protein	0.0023	0.0088	0.0468
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0019	0.0237
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.3182	0.7774
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0304	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Schistosoma mansoni	loxhd1	0.0023	0.0088	0.0216
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.3182	0.7774
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Brugia malayi	hypothetical protein	0.0023	0.0088	0.0468
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0136	0.4092	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0019	0.0046
Echinococcus multilocularis	RUN	0.0023	0.0088	0.0216
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0019	0.0237
Echinococcus granulosus	RUN	0.0023	0.0088	0.0216
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0148	0.4519	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0074	0.1883	0.4602
Schistosoma mansoni	inositol monophosphatase	0.0043	0.079	0.1931
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Schistosoma mansoni	lipoxygenase	0.0095	0.2646	0.6465
Plasmodium falciparum	LCCL domain-containing protein	0.0023	0.0088	1
Loa Loa (eye worm)	inositol-1	0.0043	0.079	0.4196
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0019	0.0046
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0019	0.0041
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0019	0.0019
Onchocerca volvulus		0.0023	0.0088	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0019	0.0099
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0019	0.0046
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Echinococcus multilocularis	Polycystic kidney disease protein	0.0023	0.0088	0.0216
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0088	0.0216
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.079	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Leishmania major	DNA polymerase eta, putative	0.0021	0.0019	0.0237
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0019	0.0046
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0074	0.1883	0.4602
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0019	0.0046
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0148	0.4519	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0019	0.0099
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0019	0.0099
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0019	0.0046
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.079	0.1931
Schistosoma mansoni	inositol monophosphatase	0.0043	0.079	0.1931
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0088	0.0216
Schistosoma mansoni	hypothetical protein	0.0023	0.0088	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1883	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0019	0.0041
Schistosoma mansoni	rab6-interacting	0.0023	0.0088	0.0216
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.079	0.079
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.079	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.079	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0019	0.0237
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.079	0.079
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Plasmodium vivax	multidomain scavenger receptor, putative	0.0023	0.0088	1
Trichomonas vaginalis	inositol monophosphatase, putative	0.0043	0.079	0.079
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0019	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0088	0.0468
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.079	0.1931
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0019	0.0046
Schistosoma mansoni	polycystin 1-related	0.0023	0.0088	0.0216
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0019	0.0099
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.079	1
Brugia malayi	Doublecortin family protein	0.0023	0.0088	0.0468
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0111	0.3182	0.7774
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.079	0.1748
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0019	0.0237
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0019	0.0237
Echinococcus granulosus	dna polymerase eta	0.0021	0.0019	0.0046
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0111	0.3182	0.7774
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0304	1	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0019	0.0237
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0088	0.0216
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0019	0.0019
Toxoplasma gondii	melibiase subfamily protein	0.0111	0.3182	1
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0111	0.3182	0.7774
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.079	1
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0019	0.0046
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0043	0.079	0.079
Giardia lamblia	Fructose-bisphosphate aldolase	0.0304	1	1
Schistosoma mansoni	lipoxygenase	0.0136	0.4092	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0088	0.0216
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0019	0.0019
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0111	0.3182	0.7774

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	22.3872 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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: CHEMBL1710094

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 1531162