TDR Targets

Basic information

Technical information

TDR Targets ID: 675660
Name: 2-[(4-methylsulfanylphenyl)sulfonylamino]-N-( phenylmethyl)benzamide
MW: 412.525 | Formula: C21H20N2O3S2
H donors: 2 H acceptors: 3 LogP: 4.28 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CSc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChi: 1S/C21H20N2O3S2/c1-27-17-11-13-18(14-12-17)28(25,26)23-20-10-6-5-9-19(20)21(24)22-15-16-7-3-2-4-8-16/h2-14,23H,15H2,1H3,(H,22,24)
InChiKey: NADPTOHHKAXWNY-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-[[4-(methylthio)phenyl]sulfonylamino]-N-(phenylmethyl)benzamide
N-(benzyl)-2-[[4-(methylthio)phenyl]sulfonylamino]benzamide
ST5427249
ZINC01160473

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.3153	0.5275
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.1192	0.3084
Echinococcus granulosus	geminin	0.0169	0.2672	0.6911
Schistosoma mansoni	hypothetical protein	0.0169	0.2672	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0727	0.272
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0727	0.1208
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0079	0.0727	0.188
Trypanosoma brucei	hypothetical protein, conserved	0.0079	0.0727	0.5
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0727	0.1208
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.5326	1
Mycobacterium ulcerans	hypothetical protein	0.0395	0.7562	1
Brugia malayi	beta-lactamase family protein	0.0079	0.0727	0.1208
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.5326	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.1192	0.4462
Trichomonas vaginalis	glucosylceramidase, putative	0.0202	0.3376	0.576
Trichomonas vaginalis	glucosylceramidase, putative	0.0202	0.3376	0.576
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.1192	0.3084
Loa Loa (eye worm)	beta-lactamase	0.0079	0.0727	0.1208
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0101	0.1192	0.3084
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0079	0.0727	0.1208
Schistosoma mansoni	hypothetical protein	0.0169	0.2672	1
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0291	0.5326	0.8856
Loa Loa (eye worm)	hypothetical protein	0.0323	0.6014	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.1192	0.4462
Mycobacterium leprae	PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN	0.0395	0.7562	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.3153	0.5275
Mycobacterium ulcerans	nitrate/nitrite response regulator protein NarL	0.0395	0.7562	1
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0727	0.1208
Loa Loa (eye worm)	hypothetical protein	0.0099	0.1154	0.1918
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.5326	1
Leishmania major	hypothetical protein, conserved	0.0079	0.0727	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.3153	0.5275
Mycobacterium ulcerans	two component transcriptional regulatory protein DevR	0.0395	0.7562	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0224	0.3866	1
Mycobacterium tuberculosis	Possible nitrate/nitrite response transcriptional regulatory protein NarL	0.0395	0.7562	0.7371
Brugia malayi	beta-lactamase family protein	0.0079	0.0727	0.1208
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0727	0.1208
Schistosoma mansoni	hypothetical protein	0.0099	0.1154	0.4318
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0101	0.1192	0.1982
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0323	0.6014	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0079	0.0727	0.272
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0727	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0079	0.0727	0.1208
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.3153	0.5275
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0101	0.1192	0.3084
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.5326	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.3153	0.5275
Trypanosoma cruzi	hypothetical protein, conserved	0.0079	0.0727	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0079	0.0727	0.5
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0727	0.1208
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.5326	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0224	0.3866	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0145	0.2148	0.3571
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0101	0.1192	0.4462
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (LuxR-family)	0.0395	0.7562	0.7371
Trichomonas vaginalis	glucosylceramidase, putative	0.0291	0.5326	1
Mycobacterium tuberculosis	Probable transcriptional regulatory protein	0.0395	0.7562	0.7371
Mycobacterium ulcerans	putative regulatory protein	0.0395	0.7562	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0099	0.1154	0.1918
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0727	0.1208
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.3153	0.5275
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.3153	0.5275
Mycobacterium tuberculosis	Probable transcriptional regulatory protein (probably LuxR/UhpA-family)	0.0395	0.7562	0.7371
Brugia malayi	beta-lactamase	0.0079	0.0727	0.1208
Toxoplasma gondii	ABC1 family protein	0.0079	0.0727	0.5
Echinococcus multilocularis	geminin	0.0169	0.2672	0.6911
Mycobacterium ulcerans	two component transcriptional regulator	0.0395	0.7562	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0101	0.1192	0.1982
Onchocerca volvulus	Glucosylceramidase homolog	0.0191	0.3153	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0145	0.2148	0.3571
Mycobacterium tuberculosis	Possible two component transcriptional regulatory protein (probably LuxR-family)	0.0395	0.7562	0.7371
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0291	0.5326	0.8856
Mycobacterium tuberculosis	Possible transcriptional regulatory protein	0.0395	0.7562	0.7371
Echinococcus granulosus	beta LACTamase domain containing family member	0.0079	0.0727	0.188

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 675660