TDR Targets

Basic information

Technical information

TDR Targets ID: 1534255
Name: 3-methoxy-N-[(2-methoxyphenyl)methyl]-4-(tetr azol-1-yl)benzenesulfonamide
MW: 375.402 | Formula: C16H17N5O4S
H donors: 1 H acceptors: 5 LogP: 1.63 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1n1cnnn1)S(=O)(=O)NCc1ccccc1OC
InChi: 1S/C16H17N5O4S/c1-24-15-6-4-3-5-12(15)10-18-26(22,23)13-7-8-14(16(9-13)25-2)21-11-17-19-20-21/h3-9,11,18H,10H2,1-2H3
InChiKey: SHTGIPQCAOQFMO-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

3-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1-tetrazolyl)benzenesulfonamide
3-methoxy-N-(2-methoxybenzyl)-4-(tetrazol-1-yl)benzenesulfonamide
3-methoxy-N-[(2-methoxyphenyl)methyl]-4-(1,2,3,4-tetrazol-1-yl)benzenesulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor, erythroid 2-like 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
Brugia malayi	steroid hormone receptor	0.001	0.008	0.0001
Schistosoma mansoni	hypothetical protein	0.0077	0.5685	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.008	0.0141
Brugia malayi	Pax transcription activation domain interacting protein	0.0021	0.1021	0.095
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1021	0.0949
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0032	0.1957	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.458	0.4536
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0755	0.1329
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.1957	1
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0755	0.1329
Brugia malayi	nuclear receptor NHR-88	0.001	0.008	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.008	0.0001
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1957	0.1892
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.2957	0.5202
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.008	0.0141
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0021	0.1021	0.5217
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0646	0.1137
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.2957	0.2901
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1021	0.0949
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.008	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.008	0.0001
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.458	0.4536
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.008	0.0001
Schistosoma mansoni	thyroid hormone receptor	0.001	0.008	0.0141
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0021	0.1021	0.5217
Plasmodium falciparum	pyruvate kinase	0.0032	0.1957	1
Echinococcus granulosus	pyruvate kinase	0.0017	0.0646	0.1137
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.008	0.0141
Echinococcus multilocularis	nibrin	0.0021	0.1021	0.1796
Schistosoma mansoni	topbp1	0.0021	0.1021	0.1796
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1021	0.0949
Toxoplasma gondii	ATPase, AAA family protein	0.0021	0.1021	0.2858
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.2957	0.5202
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1957	0.1892
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0021	0.1021	1
Giardia lamblia	Replication factor C, subunit 1	0.0021	0.1021	0.2858
Trypanosoma brucei	pyruvate kinase 1, putative	0.0032	0.1957	1
Echinococcus granulosus	pyruvate kinase	0.0032	0.1957	0.3443
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.008	0.0141
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0755	0.1329
Entamoeba histolytica	hypothetical protein	0.0077	0.5685	1
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.008	0.0141
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.1957	0.1892
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.458	0.4537
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.008	0.0141
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.1957	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.008	0.0141
Loa Loa (eye worm)	RNA binding protein	0.0064	0.458	0.4536
Schistosoma mansoni	DNA ligase IV	0.0021	0.1021	0.1796
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.008	0.0141
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.008	0.0001
Echinococcus granulosus	pyruvate kinase	0.0032	0.1957	0.3443
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2957	0.5202
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3977	0.3929
Plasmodium vivax	replication factor C subunit 1, putative	0.0021	0.1021	0.2858
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0021	0.1021	0.5217
Leishmania major	pyruvate kinase	0.0032	0.1957	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.008	0.0001
Brugia malayi	RNA binding protein	0.0064	0.458	0.4537
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1021	0.0949
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.008	0.0141
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0021	0.1021	0.095
Brugia malayi	nuclear hormone receptor	0.001	0.008	0.0001
Echinococcus granulosus	pyruvate kinase	0.0017	0.0646	0.1137
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.458	0.8057
Schistosoma mansoni	coup transcription factor	0.001	0.008	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.008	0.0001
Trichomonas vaginalis	replication factor C large subunit, putative	0.0021	0.1021	0.5217
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0755	0.1329
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.1021	0.5217
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.008	0.0141
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.008	0.0141
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0755	0.0681
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.1021	0.5217
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0032	0.1957	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0755	0.1329
Brugia malayi	hypothetical protein	0.0077	0.5685	0.565
Echinococcus granulosus	tar DNA binding protein	0.0064	0.458	0.8057
Entamoeba histolytica	hypothetical protein	0.0077	0.5685	1
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0021	0.1021	0.5217
Schistosoma mansoni	hypothetical protein	0.0039	0.2486	0.4373
Echinococcus multilocularis	replication factor c subunit 1	0.0021	0.1021	0.1796
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0032	0.1957	0.1893
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.008	0.0141
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0755	0.0682
Brugia malayi	ecdysteroid receptor	0.001	0.008	0.0001
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0032	0.1957	0.1893
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0755	0.0681
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.458	0.8057
Schistosoma mansoni	topbp1	0.0021	0.1021	0.1796
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.1957	1
Schistosoma mansoni	pyruvate kinase	0.0032	0.1957	0.3443
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0755	0.0682
Echinococcus granulosus	nibrin	0.0021	0.1021	0.1796
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0646	0.1137
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0021	0.1021	0.5217
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1021	0.0949
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.008	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.1957	0.1892
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0056	0.3977	0.3929
Echinococcus granulosus	GPCR family 2	0.0018	0.0755	0.1329
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0021	0.1021	0.5217
Echinococcus granulosus	replication factor c subunit 1	0.0021	0.1021	0.1796
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.008	0.0141
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.458	0.8057
Brugia malayi	topoisomerase	0.0021	0.1021	0.095
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.008	0.0001
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.1957	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.1957	1
Echinococcus multilocularis	pyruvate kinase	0.0032	0.1957	0.3443
Plasmodium falciparum	replication factor C subunit 1, putative	0.0021	0.1021	0.2858
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.008	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.008	0.0001
Brugia malayi	TAR-binding protein	0.0064	0.458	0.4537
Schistosoma mansoni	transcription factor LCR-F1	0.0077	0.5685	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.008	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0022	0.1142	0.1071
Loa Loa (eye worm)	pyruvate kinase-PB	0.0022	0.1142	0.1071
Schistosoma mansoni	nuclear hormone receptor	0.001	0.008	0.0141
Entamoeba histolytica	hypothetical protein	0.0077	0.5685	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.008	0.0141
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.008	0.0001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2957	0.5202
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.008	0.0141
Echinococcus multilocularis	pyruvate kinase	0.0025	0.139	0.2445
Schistosoma mansoni	thyroid hormone receptor	0.001	0.008	0.0141
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.2957	0.29
Entamoeba histolytica	pyruvate kinase, putative	0.0022	0.1142	0.026
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0755	0.1329
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.458	0.8057
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.008	0.0141
Echinococcus granulosus	pyruvate kinase	0.0017	0.0646	0.1137
Brugia malayi	hypothetical protein	0.0021	0.1021	0.095
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0077	0.5685	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.008	0.0141
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.2957	0.5202
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.008	0.0141
Mycobacterium ulcerans	pyruvate kinase	0.0032	0.1957	1
Toxoplasma gondii	pyruvate kinase PyK1	0.0032	0.1957	1
Giardia lamblia	Pyruvate kinase	0.0032	0.1957	1
Plasmodium vivax	pyruvate kinase, putative	0.0032	0.1957	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.008	0.0141
Chlamydia trachomatis	pyruvate kinase	0.0032	0.1957	1
Schistosoma mansoni	chromosome transmission fidelity factor	0.0021	0.1021	0.1796
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.458	0.8057
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.008	0.0001
Treponema pallidum	DNA ligase (lig)	0.0021	0.1021	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.008	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0021	0.1021	0.0949
Echinococcus multilocularis	pyruvate kinase	0.0032	0.1957	0.3443
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.008	0.0001
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.458	0.8057
Schistosoma mansoni	hypothetical protein	0.0018	0.0755	0.1329
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.008	0.0141
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.008	0.0141
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.2957	0.5202
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2957	0.5202
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0056	0.3977	0.3929
Schistosoma mansoni	hypothetical protein	0.0018	0.0755	0.1329
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.008	0.0141
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.1957	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0646	0.1137
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.2486	0.2426
Entamoeba histolytica	hypothetical protein	0.0077	0.5685	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.1021	0.5217
Schistosoma mansoni	pyruvate kinase	0.0032	0.1957	0.3443
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0056	0.3977	0.3929
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0021	0.1021	0.2858
Leishmania major	pyruvate kinase	0.0032	0.1957	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0077	0.5685	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.008	0.0001
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.008	0.0001
Onchocerca volvulus		0.0021	0.1021	0.5013
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.1021	0.5217
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.008	0.0001
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.1957	1
Brugia malayi	hypothetical protein	0.0021	0.1021	0.095
Schistosoma mansoni	pyruvate kinase	0.0017	0.0646	0.1137
Brugia malayi	DKFZp564C0469 protein	0.0021	0.1021	0.095
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.008	0.0141
Trypanosoma brucei	pyruvate kinase 1	0.0032	0.1957	1
Echinococcus granulosus	FTZ F1 alpha	0.001	0.008	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0039	0.2486	0.2425
Schistosoma mansoni	hypothetical protein	0.0018	0.0755	0.1329
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.1021	0.5217

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)	12.9953 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	28.1838 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: CHEMBL1705873

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 1534255