TDR Targets

Basic information

Technical information

TDR Targets ID: 632026
Name: 2-(2,3-dihydro-1,4-benzodioxin-7-ylsulfonylam ino)benzamide
MW: 334.347 | Formula: C15H14N2O5S
H donors: 2 H acceptors: 3 LogP: 1.59 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChi: 1S/C15H14N2O5S/c16-15(18)11-3-1-2-4-12(11)17-23(19,20)10-5-6-13-14(9-10)22-8-7-21-13/h1-6,9,17H,7-8H2,(H2,16,18)
InChiKey: CHFTZYINNDKEEA-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

2-(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonylamino)-benzamide
BAS 01932857
EU-0050165
ZINC02954032
2-[(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]benzamide
MLS000530581
SMR000135559

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570

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
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0342	0.0342
Brugia malayi	Bromodomain containing protein	0.0152	0.0946	0.0934
Onchocerca volvulus		0.0051	0.012	0.3534
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0144	0.0144
Loa Loa (eye worm)	hypothetical protein	0.1259	0.9944	0.9944
Schistosoma mansoni	lamin	0.0054	0.0144	0.013
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0058	0.0177	0.0163
Schistosoma mansoni	thyroid hormone receptor	0.0142	0.0859	0.0846
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.012	0.0106
Echinococcus multilocularis	carbonic anhydrase	0.0684	0.5264	0.5258
Onchocerca volvulus		0.0054	0.0144	1
Loa Loa (eye worm)	PHD-finger family protein	0.0042	0.0049	0.0049
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0144	0.013
Schistosoma mansoni	carbonic anhydrase-related	0.0684	0.5264	0.5258
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0684	0.5264	0.5258
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0861	0.6705	0.67
Schistosoma mansoni	zinc finger protein	0.004	0.0032	0.0018
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.028	0.1982	1
Brugia malayi	intermediate filament protein	0.0054	0.0144	0.013
Echinococcus granulosus	histone acetyltransferase MYST2	0.0058	0.0177	0.0163
Schistosoma mansoni	sex comb on midleg homolog	0.0051	0.012	0.0106
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0046	0.008	0.0067
Leishmania major	carbonic anhydrase family protein, putative	0.0493	0.3715	0.3706
Brugia malayi	mbt repeat family protein	0.0051	0.012	0.0106
Echinococcus granulosus	carbonic anhydrase	0.0684	0.5264	0.5258
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0073	0.0301	0.0288
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0058	0.0177	0.0163
Echinococcus multilocularis	geminin	0.0172	0.1109	0.1097
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0051	0.012	0.3534
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0107	0.0093
Loa Loa (eye worm)	inositol-1	0.0038	0.0014	0.0014
Trypanosoma brucei	carbonic anhydrase-like protein	0.1266	1	1
Brugia malayi	PHD-finger family protein	0.0051	0.012	0.0106
Echinococcus multilocularis	lamin	0.0054	0.0144	0.013
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0136	0.0136
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0058	0.0177	0.0163
Schistosoma mansoni	hypothetical protein	0.0308	0.221	0.22
Brugia malayi	Bromodomain containing protein	0.0078	0.034	0.0327
Brugia malayi	mbt repeat family protein	0.0051	0.012	0.0106
Echinococcus granulosus	carbonic anhydrase	0.0684	0.5264	0.5258
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0177	0.0177
Schistosoma mansoni	hypothetical protein	0.0172	0.1109	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0412	0.0412
Trichomonas vaginalis	conserved hypothetical protein	0.0213	0.1441	1
Schistosoma mansoni	lamin	0.0054	0.0144	0.013
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1266	1	1
Echinococcus multilocularis	carbonic anhydrase	0.0684	0.5264	0.5258
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0144	0.0144
Echinococcus granulosus	geminin	0.0172	0.1109	0.1097
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.02	0.133	0.1318
Echinococcus granulosus	polycomb protein SCMH1	0.0051	0.012	0.0106
Toxoplasma gondii	hypothetical protein	0.0684	0.5264	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0684	0.5264	0.5264
Echinococcus multilocularis	polycomb protein SCMH1	0.0051	0.012	0.0106
Schistosoma mansoni	hypothetical protein	0.0172	0.1109	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0381	0.0381
Echinococcus multilocularis	zinc finger protein	0.004	0.0032	0.0018
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.0614	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0328	0.0328
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0051	0.012	0.0106
Echinococcus multilocularis	musashi	0.0054	0.0144	0.013
Entamoeba histolytica	carbonic anhydrase, putative	0.0493	0.3715	1
Echinococcus granulosus	survival motor neuron protein 1	0.024	0.1663	0.1651
Schistosoma mansoni	hypothetical protein	0.0076	0.0328	0.0314
Onchocerca volvulus		0.0054	0.0144	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.012	0.012
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0058	0.0177	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0684	0.5264	0.5264
Echinococcus granulosus	SAM and MBT domain containing protein	0.0051	0.012	0.0106
Schistosoma mansoni	hypothetical protein	0.0049	0.0107	0.0093
Echinococcus granulosus	lamin	0.0054	0.0144	0.013
Plasmodium falciparum	carbonic anhydrase	0.0684	0.5264	0.5
Echinococcus granulosus	fetal alzheimer antigen falz	0.0046	0.008	0.0067
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.0614	0.0601
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.0328	0.0314
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.0014	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0121	0.0694	0.0681
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0046	0.008	0.0067
Loa Loa (eye worm)	hypothetical protein	0.0144	0.0875	0.0875
Schistosoma mansoni	hypothetical protein	0.0122	0.07	0.0687
Schistosoma mansoni	bromodomain containing protein	0.0128	0.0753	0.074
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1266	1	1
Echinococcus granulosus	zinc finger protein	0.004	0.0032	0.0018
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1266	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0142	0.0859	0.0846
Loa Loa (eye worm)	hypothetical protein	0.024	0.1663	0.1663
Schistosoma mansoni	carbonic anhydrase	0.0684	0.5264	0.5258
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0684	0.5264	0.5258
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.0493	0.3715	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.0614	0.0601
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0121	0.0694	0.0681
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.152	0.1449
Schistosoma mansoni	hypothetical protein	0.0684	0.5264	0.5258
Mycobacterium ulcerans	carbonic anhydrase	0.0213	0.1441	0.3856
Loa Loa (eye worm)	hypothetical protein	0.0684	0.5264	0.5264
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0614	0.0614
Leishmania major	carbonic anhydrase-like protein	0.1266	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0684	0.5264	0.5258
Schistosoma mansoni	carbonic anhydrase-related	0.0684	0.5264	0.5258
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0144	0.0144
Schistosoma mansoni	carbonic anhydrase-related	0.0684	0.5264	0.5258
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0073	0.0301	0.0288
Trichomonas vaginalis	conserved hypothetical protein	0.0213	0.1441	1
Loa Loa (eye worm)	mbt repeat family protein	0.0051	0.012	0.012
Schistosoma mansoni	hypothetical protein	0.0042	0.0049	0.0035
Echinococcus granulosus	carbonic anhydrase	0.0684	0.5264	0.5258
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.02	0.133	0.1318
Echinococcus granulosus	intermediate filament protein	0.0054	0.0144	0.013
Echinococcus multilocularis	lamin dm0	0.0054	0.0144	0.013
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1266	1	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0107	0.0093
Echinococcus multilocularis	carbonic anhydrase	0.0684	0.5264	0.5258
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.07	0.0687
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1266	1	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1266	1	1
Echinococcus multilocularis	carbonic anhydrase II	0.1266	1	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0051	0.012	0.0106
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0684	0.5264	0.5258
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0058	0.0177	0.0163
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0142	0.0859	0.0846
Echinococcus multilocularis	survival motor neuron protein 1	0.024	0.1663	0.1651
Loa Loa (eye worm)	carbonic anhydrase 3	0.1266	1	1
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0144	0.013
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0684	0.5264	0.5258
Mycobacterium ulcerans	carbonic anhydrase	0.0493	0.3715	1
Loa Loa (eye worm)	MBCTL1	0.0058	0.0177	0.0177
Echinococcus granulosus	carbonic anhydrase II	0.1266	1	1
Schistosoma mansoni	carbonic anhydrase	0.0493	0.3715	0.3706
Brugia malayi	hypothetical protein	0.024	0.1663	0.1651
Echinococcus granulosus	lamin dm0	0.0054	0.0144	0.013
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.07	0.0687

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	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: CHEMBL1487000
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 632026