TDR Targets

Basic information

Technical information

TDR Targets ID: 1405056
Name: N-(3,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenz imidazole-5-sulfonamide
MW: 349.362 | Formula: C15H15N3O5S
H donors: 3 H acceptors: 4 LogP: 1.93 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1OC)NS(=O)(=O)c1ccc2c(c1)nc([nH]2)O
InChi: 1S/C15H15N3O5S/c1-22-13-6-3-9(7-14(13)23-2)18-24(20,21)10-4-5-11-12(8-10)17-15(19)16-11/h3-8,18H,1-2H3,(H2,16,17,19)
InChiKey: ZPQNXJXRDBYJSI-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-(3,4-dimethoxyphenyl)-2-keto-1,3-dihydrobenzimidazole-5-sulfonamide
T5599650
ZINC07486130

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Equus caballus	Ferritin light chain	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
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	hyperpolarization activated cyclic	0.0025	0.0426	0.0397
Echinococcus granulosus	voltage gated potassium channel	0.0037	0.0978	0.095
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0317	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0317	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0426	0.0397
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0094	0.0069
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0017	0.0031	0.0984
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0317	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0018	0.0094	0.0063
Schistosoma mansoni	hypothetical protein	0.0039	0.1091	0.1167
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.1161	0.1133
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0025	0.0426	0.0397
Onchocerca volvulus		0.0023	0.0317	0.2038
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0044	0.0013
Echinococcus multilocularis	expressed conserved protein	0.0089	0.3447	0.3426
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0317	0.0287
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0025	0.0426	0.0435
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1507	0.148
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0044	0.0013
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0094	0.0069
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0025	0.0426	0.0397
Schistosoma mansoni	hypothetical protein	0.0047	0.1433	0.1543
Trypanosoma cruzi	N-myristoyl transferase, putative	0.021	0.9114	1
Trypanosoma brucei	N-myristoyltransferase	0.021	0.9114	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0037	0.0978	0.095
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.1433	0.1406
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0317	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0789	0.076
Echinococcus multilocularis	protein dispatched 1	0.0047	0.1432	0.1406
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0025	0.0426	0.0397
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0025	0.0426	0.0397
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0317	0.0314
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0044	0.0014
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.1161	0.1133
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0095	0.3719	0.4019
Mycobacterium tuberculosis	Conserved protein	0.0017	0.0031	0.0984
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0044	1
Toxoplasma gondii	exonuclease III APE	0.0018	0.0094	1
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.021	0.9114	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0317	0.0287
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0317	0.0247
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.1161	0.1133
Echinococcus multilocularis	protein patched	0.0041	0.1161	0.1133
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0017	0.0031	0.0984
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0128	0.5246	0.5231
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0119	0.485	0.5306
Brugia malayi	N-myristoyltransferase 2	0.021	0.9114	0.9111
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0025	0.0426	0.0397
Schistosoma mansoni	voltage-gated potassium channel	0.0025	0.0426	0.0435
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0037	0.0978	0.095
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1507	0.148
Mycobacterium tuberculosis	Probable conserved transmembrane transport protein	0.0017	0.0031	0.0984
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0.0094	0.5
Trypanosoma brucei	N-myristoyl transferase, putative	0.021	0.9114	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0317	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0094	0.0069
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0025	0.0426	0.0435
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0128	0.5246	0.5231
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0044	0.0013
Brugia malayi	CHE-14 protein	0.0041	0.1161	0.1133
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0025	0.0426	0.0435
Loa Loa (eye worm)	N-myristoyltransferase 2	0.021	0.9114	0.9111
Schistosoma mansoni	hypothetical protein	0.0039	0.1091	0.1167
Giardia lamblia	CDC72	0.021	0.9114	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0128	0.5246	0.5231
Schistosoma mansoni	hypothetical protein	0.0039	0.1091	0.1167
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0025	0.0426	0.0397
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0025	0.0426	0.0397
Schistosoma mansoni	voltage-gated potassium channel	0.0139	0.5798	0.6349
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0018	0.0094	0.2189
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0317	0.0287
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.021	0.9114	0.9111
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0044	0.045
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0044	0.139
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.0978	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1161	0.1133
Echinococcus multilocularis	Niemann Pick C1 protein	0.0136	0.5641	0.5628
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1507	0.148
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0018	0.0094	0.0063
Echinococcus granulosus	Niemann Pick C1 protein	0.0095	0.3719	0.3699
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0317	1
Schistosoma mansoni	60S ribosomal protein L21	0.002	0.0185	0.0169
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1507	0.148
Echinococcus granulosus	Niemann Pick C1 protein	0.0136	0.5641	0.5628
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0317	0.0287
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0094	0.0069
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.021	0.9114	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0317	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0018	0.0094	0.2958
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0018	0.0094	0.0069
Schistosoma mansoni	voltage-gated potassium channel	0.002	0.0185	0.0169
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0317	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.1161	0.1133
Echinococcus granulosus	expressed conserved protein	0.0089	0.3447	0.3426
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0317	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0111	0.4452	0.4435
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0317	1
Echinococcus granulosus	hyperpolarization activated cyclic	0.0025	0.0426	0.0397
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0025	0.0426	0.0435
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0025	0.0426	0.0397
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0037	0.0978	0.095
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0978	0.095
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0018	0.0094	0.0069
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0018	0.0094	0.0069
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0094	0.0069
Mycobacterium tuberculosis	Probable glutamine-transport ATP-binding protein ABC transporter GlnQ	0.0017	0.0031	0.0984
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0317	0.0247
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0317	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0094	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0018	0.0094	0.0063
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0017	0.0031	0.0984
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0018	0.0094	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0095	0.3719	0.3699
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0025	0.0426	0.0435
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0025	0.0426	0.0397
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.0978	0.1043
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0094	0.0063
Echinococcus multilocularis	voltage gated potassium channel	0.0037	0.0978	0.095
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0025	0.0426	0.0397
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0317	1
Schistosoma mansoni	ap endonuclease	0.0018	0.0094	0.0069
Onchocerca volvulus		0.0047	0.1433	1
Trichomonas vaginalis	N-myristoyl transferase, putative	0.021	0.9114	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0095	0.3719	0.3699
Loa Loa (eye worm)	hypothetical protein	0.005	0.1593	0.1567
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0138	0.5727	0.6271
Trypanosoma cruzi	N-myristoyl transferase, putative	0.021	0.9114	1
Leishmania major	N-myristoyl transferase, putative	0.021	0.9114	1
Trichomonas vaginalis	ap endonuclease, putative	0.0018	0.0094	0.0069
Schistosoma mansoni	hypothetical protein	0.0033	0.0789	0.0834
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0789	0.076
Mycobacterium tuberculosis	Probable transcriptional regulatory protein Cmr	0.0017	0.0031	0.0984
Schistosoma mansoni	hypothetical protein	0.0039	0.1091	0.1167
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0317	0.0287
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0317	1
Schistosoma mansoni	voltage-gated potassium channel	0.0139	0.5798	0.6349
Schistosoma mansoni	survival motor neuron protein	0.0047	0.1433	0.1543
Schistosoma mansoni	patched 1	0.0041	0.1161	0.1244
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.1161	0.1244
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0044	0.0014
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0025	0.0426	0.0435
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0025	0.0426	0.0397
Entamoeba histolytica	glycylpeptide N-tetradecanoyltransferase, putative	0.021	0.9114	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0044	0.0013
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.021	0.9114	0.9111
Schistosoma mansoni	N-myristoyltransferase	0.021	0.9114	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.3788	0.4136
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0025	0.0426	0.0397
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0317	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0119	0.485	0.5306
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0128	0.5246	0.5231
Echinococcus multilocularis	Niemann Pick C1 protein	0.0095	0.3719	0.3699
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0044	0.0013
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0317	0.0247
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0025	0.0426	0.0435
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0317	0.0314

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (binding)	= 0.8913 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	84.9214 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	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

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: CHEMBL1564219

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 1405056