TDR Targets

Basic information

Technical information

TDR Targets ID: 871864
Name: N-(4-acetylphenyl)-2,5-dimethoxybenzenesulfon amide
MW: 335.375 | Formula: C16H17NO5S
H donors: 1 H acceptors: 3 LogP: 2.07 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1S(=O)(=O)Nc1ccc(cc1)C(=O)C)OC
InChi: 1S/C16H17NO5S/c1-11(18)12-4-6-13(7-5-12)17-23(19,20)16-10-14(21-2)8-9-15(16)22-3/h4-10,17H,1-3H3
InChiKey: AWPLDXNHRNFCQY-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-(4-acetylphenyl)-2,5-dimethoxy-benzenesulfonamide
N-(4-ethanoylphenyl)-2,5-dimethoxy-benzenesulfonamide
MLS000531638
SMR000136616
T5580166
EU-0056863
ZINC00249036

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0055	0.0731	0.0951
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.002	0.002
Onchocerca volvulus	Tyrosine kinase homolog	0.0486	0.9215	1
Echinococcus granulosus	roundabout 2	0.0069	0.1019	0.1336
Echinococcus granulosus	neuroglian	0.0056	0.0755	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0188	0.5
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0028	0.021	0.0206
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0188	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0743	0.0967
Schistosoma mansoni	roundabout	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1019	0.1001
Schistosoma mansoni	hypothetical protein	0.0182	0.3225	0.4286
Echinococcus multilocularis	Immunoglobulin	0.0041	0.0467	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Echinococcus granulosus	Immunoglobulin	0.0041	0.0467	0.0598
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0028	0.021	0.0254
Leishmania major	hypothetical protein, conserved	0.0027	0.0188	0.5
Echinococcus multilocularis	neuroglian	0.0056	0.0755	0.0983
Echinococcus multilocularis	geminin	0.0182	0.3225	0.4286
Trichomonas vaginalis	AGC family protein kinase	0.0399	0.7497	0.5
Onchocerca volvulus		0.0466	0.8819	0.9569
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0041	0.0467	0.0467
Brugia malayi	protein unc-22	0.0018	0.002	0.002
Loa Loa (eye worm)	TK/ROR protein kinase	0.002	0.0053	0.0033
Echinococcus granulosus	neuroglian	0.0028	0.021	0.0254
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0743	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0707	0.0707
Schistosoma mansoni	cell adhesion molecule	0.0028	0.021	0.0254
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0743	0.0967
Schistosoma mansoni	serine/threonine protein kinase	0.0399	0.7497	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0041	0.0467	0.0598
Schistosoma mansoni	septate junction protein	0.0028	0.021	0.0254
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0188	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0028	0.021	0.0254
Brugia malayi	Prion-like-	0.0028	0.021	0.021
Schistosoma mansoni	tyrosine kinase	0.0034	0.0317	0.0397
Schistosoma mansoni	cell adhesion molecule	0.0028	0.021	0.0254
Schistosoma mansoni	nephrin	0.0056	0.0755	0.0983
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0375	0.0356
Echinococcus granulosus	geminin	0.0182	0.3225	0.4286
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0028	0.021	0.0254
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0415	0.0528
Echinococcus multilocularis	neuroglian	0.0028	0.021	0.0254
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0743	0.0967
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0467	0.0448
Echinococcus granulosus	hemicentin 1	0.0028	0.021	0.0254
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0399	0.7497	0.7492
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0467	0.0448
Echinococcus multilocularis	roundabout 2	0.0028	0.021	0.0254
Echinococcus multilocularis	Immunoglobulin	0.0041	0.0467	0.0598
Schistosoma mansoni	septate junction protein	0.0028	0.021	0.0254
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0375	0.0375
Onchocerca volvulus		0.0324	0.602	0.6525
Echinococcus granulosus	twitchin	0.006	0.0829	0.1082
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0032	0.0284	0.0264
Echinococcus multilocularis	roundabout 2	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Schistosoma mansoni	cell adhesion molecule	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0467	0.0448
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0743	0.0967
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0743	0.0724
Echinococcus multilocularis	hemicentin 1	0.0028	0.021	0.0254
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0707	0.0688
Loa Loa (eye worm)	TK protein kinase	0.002	0.0053	0.0033
Trichomonas vaginalis	AGC family protein kinase	0.0399	0.7497	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0415	0.0528
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0399	0.7497	0.7492
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.002	0.0053	0.0045
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0028	0.021	0.019
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0415	0.0528
Schistosoma mansoni	vesicular amine transporter	0.0041	0.0467	0.0598
Brugia malayi	hypothetical protein	0.0039	0.0415	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0731	0.0712
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0399	0.7497	1
Echinococcus granulosus	roundabout 2	0.0028	0.021	0.0254
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.2171	0.2155
Entamoeba histolytica	protein kinase, putative	0.0399	0.7497	1
Echinococcus multilocularis	lachesin	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0467	0.0448
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0743	0.0967
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0399	0.7497	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Schistosoma mansoni	hypothetical protein	0.0039	0.0415	0.0528
Brugia malayi	MH2 domain containing protein	0.0128	0.2171	0.2171
Loa Loa (eye worm)	hypothetical protein	0.0324	0.602	0.6012
Echinococcus granulosus	contactin	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0707	0.0688
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0399	0.7497	0.7497
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Echinococcus granulosus	roundabout 2	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0028	0.021	0.0254
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0028	0.021	0.0254
Schistosoma mansoni	hypothetical protein	0.0037	0.0375	0.0475
Schistosoma mansoni	titin	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0188	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0028	0.021	0.019
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.2171	0.2155
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0526	1	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0041	0.0467	0.0598
Brugia malayi	hypothetical protein	0.0027	0.0188	0.0188
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0743	0.0743
Trichomonas vaginalis	AGC family protein kinase	0.0399	0.7497	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Echinococcus granulosus	defective proboscis extension response	0.0041	0.0467	0.0598
Echinococcus granulosus	tyrosine protein kinase otk	0.0028	0.021	0.0254
Brugia malayi	Protein kinase domain containing protein	0.0399	0.7497	0.7497
Echinococcus multilocularis	tyrosine protein kinase otk	0.0028	0.021	0.0254
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0028	0.021	0.0254
Brugia malayi	Peroxidasin	0.0028	0.021	0.021
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0041	0.0467	0.0598
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0188	0.5
Echinococcus granulosus	peroxidasin	0.0028	0.021	0.0254
Schistosoma mansoni	neuroglian	0.0028	0.021	0.0254
Schistosoma mansoni	nephrin	0.0028	0.021	0.0254
Brugia malayi	Fibronectin type III domain containing protein	0.0041	0.0467	0.0467
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0188	0.5
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0188	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0028	0.021	0.019
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0188	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0467	0.0448
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.002	0.0053	0.0045
Brugia malayi	hypothetical protein	0.0041	0.0467	0.0467
Echinococcus granulosus	lachesin	0.0028	0.021	0.0254
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0028	0.021	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0467	0.0448
Schistosoma mansoni	cell adhesion molecule	0.0055	0.0731	0.0951
Schistosoma mansoni	hypothetical protein	0.0182	0.3225	0.4286
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0028	0.021	0.019
Brugia malayi	hypothetical protein	0.0324	0.602	0.602
Brugia malayi	Immunoglobulin I-set domain containing protein	0.002	0.0053	0.0053
Echinococcus multilocularis	hemicentin 1	0.0028	0.021	0.0254
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0707	0.0707
Echinococcus multilocularis	peroxidasin	0.0028	0.021	0.0254
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021
Echinococcus multilocularis	roundabout 2	0.0069	0.1019	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0069	0.1019	0.1001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0743	0.0967
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0028	0.021	0.021

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	67.047 uM	PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PGV04, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	67.047 uM	PubChem BioAssay. TRFRET-based biochemical high throughput dose response assay for small molecules that bind to the HIV-1-gp120 binding antibody, PG9. (Class of assay: confirmatory)	ChEMBL.	No reference
IC50 (functional)	67.047 uM	PubChem BioAssay. Counterscreen for discovery of small molecules that bind to the HIV-1-gp120 binding antibody, PG9: TR-FRET-based biochemical high throughput dose response assay to identify small molecules that bind to the control antibody, PG126, which binds to a distinct site on the HIV envelope different from the PG9 binding site. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	112.2018 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: CHEMBL1887461
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 871864