TDR Targets

Basic information

Technical information

TDR Targets ID: 1297157
Name: N-(2-methoxy-5-methylphenyl)-2,3-dioxo-1,4-di hydroquinoxaline-6-sulfonamide
MW: 361.372 | Formula: C16H15N3O5S
H donors: 3 H acceptors: 4 LogP: 1.3 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1NS(=O)(=O)c1ccc2c(c1)[nH]c(=O)c(=O)[nH]2)C
InChi: 1S/C16H15N3O5S/c1-9-3-6-14(24-2)13(7-9)19-25(22,23)10-4-5-11-12(8-10)18-16(21)15(20)17-11/h3-8,19H,1-2H3,(H,17,20)(H,18,21)
InChiKey: YZDCOQVPWHNJJI-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-methoxy-5-methyl-phenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
2,3-diketo-N-(2-methoxy-5-methyl-phenyl)-1,4-dihydroquinoxaline-6-sulfonamide
C224-0910
NCGC00105491-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	thyroid hormone receptor, beta	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	thyroid hormone receptor alpha	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	expressed protein	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma japonicum	Thyroid hormone receptor alpha, putative	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	thyroid hormone receptor	Get druggable targets OG5_134830	All targets in OG5_134830
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134830	All targets in OG5_134830
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	Get druggable targets OG5_134830	All targets in OG5_134830

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	photoreceptor-specific nuclear receptor	thyroid hormone receptor, beta	461 aa	414 aa	24.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0507	0.5324
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0164	0.1856	0.1836
Onchocerca volvulus	Huntingtin homolog	0.012	0.1289	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0152	0.1699	0.1679
Brugia malayi	Latrophilin receptor protein 2	0.0045	0.0316	0.1111
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0045	0.0316	0.1078
Schistosoma mansoni	dopamine-beta-monooxygenase	0.0238	0.281	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0316	0.1124
Schistosoma mansoni	hypothetical protein	0.0045	0.0316	0.1124
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.0538	0.1896
Echinococcus multilocularis	GPCR, family 2	0.0045	0.0316	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0232	0.2731	1
Schistosoma mansoni	hypothetical protein	0.0097	0.0985	0.3507
Echinococcus granulosus	GPCR family 2	0.0045	0.0316	0.1078
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0035	0.0194	0.017
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0287	0.2692
Trichomonas vaginalis	DNA-3-methyladenine glycosylase, putative	0.0168	0.1908	1
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.2731	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0133	0.1452	0.5276
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0507	0.1769
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.0538	0.0515
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0126	0.1361	0.4956
Mycobacterium ulcerans	DNA-3-methyladenine glycosylase I TagA	0.0168	0.1908	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0287	0.0476
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0287	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0634	0.2321
Brugia malayi	DOMON domain containing protein	0.0024	0.0049	0.013
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0024	0.0086
Loa Loa (eye worm)	hypothetical protein	0.012	0.1289	0.472
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0206	0.5
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0507	0.1785
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0152	0.1699	0.6186
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0507	1
Brugia malayi	Bromodomain containing protein	0.0041	0.0267	0.093
Echinococcus multilocularis	zinc finger protein	0.0023	0.003	0.0006
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0141	0.1562	0.5721
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0139	0.1532	0.1511
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0035	0.0194	0.0626
Onchocerca volvulus		0.0047	0.0349	0.2418
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0507	0.1769
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0507	0.1805
Loa Loa (eye worm)	DOMON domain-containing protein	0.0024	0.0049	0.0181
Schistosoma mansoni	peptidyl-glycine monooxygenase	0.0126	0.1361	0.4843
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0141	0.1562	0.5699
Brugia malayi	acetyltransferase, GNAT family protein	0.0139	0.1532	0.5586
Schistosoma mansoni	zinc finger protein	0.0023	0.003	0.0106
Brugia malayi	PHD-finger family protein	0.0028	0.0097	0.0306
Loa Loa (eye worm)	DOMON domain-containing protein	0.0024	0.0049	0.0181
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0062	0.0538	0.1927
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0045	0.0316	0.0292
Brugia malayi	DOMON domain containing protein	0.0024	0.0049	0.013
Giardia lamblia	Histone acetyltransferase GCN5	0.0037	0.0214	0.5
Trichomonas vaginalis	DNA-3-methyladenine glycosylase, putative	0.0168	0.1908	1
Loa Loa (eye worm)	bromodomain containing protein	0.0021	0.0006	0.0021
Brugia malayi	Bromodomain containing protein	0.0077	0.0731	0.2639
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0349	0.1243
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0287	0.2692
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0985	0.3608
Echinococcus granulosus	peptidyl glycine alpha amidating monooxygenase	0.0126	0.1361	0.4938
Brugia malayi	DOMON domain containing protein	0.0024	0.0049	0.013
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0206	0.0734
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0287	0.0972
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein	0.0126	0.1361	0.4956
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0287	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0141	0.1562	0.5699
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.2731	0.2714
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0206	0.0183
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0014	0.0051
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0507	1
Brugia malayi	hypothetical protein	0.012	0.1289	0.4693
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0045	0.0316	0.1111
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1361	0.4982
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1361	0.4982
Mycobacterium leprae	PROBABLE DNA-3-METHYLADENINE GLYCOSYLASE I TAGA (TAG I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g	0.0083	0.0815	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0045	0.0316	0.0292
Schistosoma mansoni	hypothetical protein	0.0045	0.0316	0.1124
Loa Loa (eye worm)	hypothetical protein	0.012	0.1289	0.472
Brugia malayi	hypothetical protein	0.0232	0.2731	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0139	0.1532	0.5452
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0045	0.0316	0.1078
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0206	0.0734
Schistosoma mansoni	hypothetical protein	0.0152	0.1699	0.6046
Schistosoma mansoni	hypothetical protein	0.0047	0.0349	0.1243
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0045	0.0316	0.1157
Brugia malayi	Inositol-1	0.0036	0.0206	0.0708
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1562	0.5721
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.1856	0.6606
Echinococcus granulosus	zinc finger protein	0.0023	0.003	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0224	0.0822
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0507	0.0484
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0206	0.5
Plasmodium falciparum	histone acetyltransferase GCN5	0.0037	0.0214	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0507	0.1769
Schistosoma mansoni	peptidylglycine monooxygenase	0.0126	0.1361	0.4843
Brugia malayi	Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein	0.0064	0.0562	0.2016
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0206	0.5
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0349	0.1234
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0206	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0322	0.1178
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0507	0.1805
Schistosoma mansoni	bromodomain containing protein	0.0065	0.0583	0.2074
Onchocerca volvulus	Huntingtin homolog	0.012	0.1289	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0298	0.109
Schistosoma mansoni	thyroid hormone receptor	0.0164	0.1856	0.6606
Mycobacterium tuberculosis	Probable DNA-3-methyladenine glycosylase I TagA (tag I) (3-methyladenine-DNA glycosylase I, constitutive) (DNA-3-methyladenine g	0.0083	0.0815	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0316	0.1124
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0206	0.5
Loa Loa (eye worm)	inositol-1	0.0036	0.0206	0.0755
Echinococcus multilocularis	peptidyl glycine alpha amidating monooxygenase	0.0126	0.1361	0.134
Entamoeba histolytica	acetyltransferase, GNAT family	0.0037	0.0214	1
Loa Loa (eye worm)	DOMON domain-containing protein	0.0024	0.0049	0.0181
Loa Loa (eye worm)	acetyltransferase	0.0139	0.1532	0.5609
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0316	0.1157
Brugia malayi	latrophilin 2 splice variant baaae	0.0097	0.0985	0.3575

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.0089 um	PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	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: CHEMBL1410754

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 1297157