TDR Targets

Basic information

Technical information

TDR Targets ID: 719284
Name: 4-chloro-N-(4-ethoxyphenyl)-N'-phenylsulfonyl benzenecarboximidamide
MW: 414.905 | Formula: C21H19ClN2O3S
H donors: 1 H acceptors: 2 LogP: 5.68 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)NC(=NS(=O)(=O)c1ccccc1)c1ccc(cc1)Cl
InChi: 1S/C21H19ClN2O3S/c1-2-27-19-14-12-18(13-15-19)23-21(16-8-10-17(22)11-9-16)24-28(25,26)20-6-4-3-5-7-20/h3-15H,2H2,1H3,(H,23,24)
InChiKey: KBBCQXMVPNQRMN-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

4-chloro-N-(4-ethoxyphenyl)-N'-phenylsulfonyl-benzamidine
4-chloro-N-(4-ethoxyphenyl)-N'-phenylsulfonylbenzamidine
4-chloro-N-(4-ethoxyphenyl)-N'-phenylsulfonyl-benzenecarboximidamide
ZINC04998453

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
Echinococcus granulosus	GPCR family 2	0.0035	0.1772	0.1772
Schistosoma mansoni	ap endonuclease	0.0021	0.0686	0.1422
Brugia malayi	hypothetical protein	0.0024	0.0976	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0076	0.4822	0.4822
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0482	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.4284	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0976	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0935	0.119
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0976	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0035	0.1772	0.1772
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0035	0.1772	0.1772
Schistosoma mansoni	hypothetical protein	0.0076	0.4822	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1772	0.1772
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4507	0.9346
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0976	0.0807
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0976	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0935	0.0693
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0935	0.0935
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0935	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0935	0.0935
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4507	0.9346
Echinococcus multilocularis	muscleblind protein 1	0.0145	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0111	0.745	0.745
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0935	0.0935
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0935	0.1357
Schistosoma mansoni	hypothetical protein	0.0035	0.1772	0.3676
Loa Loa (eye worm)	TAR-binding protein	0.0071	0.4507	0.4507
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0935	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0976	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.4284	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0935	0.119
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0935	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.4284	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0976	0.0976
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.4284	0.4284
Schistosoma mansoni	ap endonuclease	0.0021	0.0686	0.1422
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4507	0.9346
Loa Loa (eye worm)	hypothetical protein	0.0145	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0935	0.0693
Echinococcus multilocularis	GPCR, family 2	0.0035	0.1772	0.1772
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0035	0.1772	0.1772
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.4284	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0482	0.0482
Leishmania major	hypothetical protein, conserved	0.0024	0.0976	0.0807
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0935	0.1357
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0021	0.0686	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0071	0.4507	0.4507
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4507	0.9346
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0935	0.0935
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0935	0.119
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0482	0.0482
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0976	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0935	0.119
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0035	0.1772	0.1772
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0686	0.5
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0686	0.4117
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0035	0.1772	0.1772
Schistosoma mansoni	hypothetical protein	0.0035	0.1772	0.3676
Loa Loa (eye worm)	hypothetical protein	0.0111	0.745	0.745
Brugia malayi	RNA recognition motif domain containing protein	0.0071	0.4507	0.4507
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0021	0.0686	0.0686
Onchocerca volvulus		0.0024	0.0935	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0021	0.0686	0.0713
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0035	0.1772	0.1772
Brugia malayi	Latrophilin receptor protein 2	0.0035	0.1772	0.1772
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0935	0.119
Trichomonas vaginalis	ap endonuclease, putative	0.0021	0.0686	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0071	0.4507	0.9346
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0021	0.0686	0.4117
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0111	0.745	0.745
Loa Loa (eye worm)	hypothetical protein	0.0145	1	1
Echinococcus multilocularis	muscleblind protein	0.0145	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0021	0.0686	0.0686
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0935	0.119
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0021	0.0686	0.0686
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0935	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0935	0.0935
Echinococcus granulosus	muscleblind protein	0.0145	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.4284	0.8886
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0482	0.0482
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0.0686	0.5
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.4284	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0.0686	0.5
Echinococcus granulosus	tar DNA binding protein	0.0071	0.4507	0.4507
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0935	0.119
Brugia malayi	exodeoxyribonuclease III family protein	0.0021	0.0686	0.0686
Schistosoma mansoni	hypothetical protein	0.0035	0.1772	0.3676
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0111	0.745	0.745
Echinococcus multilocularis	tar DNA binding protein	0.0071	0.4507	0.4507
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0482	0.0482
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.4284	0.8886
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0935	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0021	0.0686	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0482	0.0482
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0482	0.0189
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0935	0.0935
Brugia malayi	RNA binding protein	0.0071	0.4507	0.4507
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0935	0.119
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0935	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0976	1
Schistosoma mansoni	hypothetical protein	0.0035	0.1772	0.3676
Brugia malayi	latrophilin 2 splice variant baaae	0.0076	0.4822	0.4822
Brugia malayi	hypothetical protein	0.0016	0.0327	0.0327
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.4284	1
Brugia malayi	TAR-binding protein	0.0071	0.4507	0.4507
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.4284	0.4284
Loa Loa (eye worm)	RNA binding protein	0.0071	0.4507	0.4507

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 719284