TDR Targets

Basic information

Technical information

TDR Targets ID: 885071
Name: 3-chloro-4-methyl-N,N-bis(phenylmethyl)benzen esulfonamide
MW: 385.907 | Formula: C21H20ClNO2S
H donors: 0 H acceptors: 2 LogP: 5.05 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1Cl)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1
InChi: 1S/C21H20ClNO2S/c1-17-12-13-20(14-21(17)22)26(24,25)23(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14H,15-16H2,1H3
InChiKey: WAWKWEIXFOIPDS-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,N-bis(benzyl)-3-chloro-4-methyl-benzenesulfonamide
Oprea1_053679

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
Leishmania major	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0084	0.0272	0.0272
Trypanosoma cruzi	dihydrolipoamide acetyltransferase, putative	0.0084	0.0272	0.0442
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0066	0.0068
Echinococcus multilocularis	propionyl coenzyme A carboxylase alpha chain	0.0911	0.3759	0.3759
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0066	1
Mycobacterium leprae	Probable bifunctional protein acetyl-/propionyl-coenzyme A carboxylase, alpha chain AccA3 (BccP)	0.0911	0.3759	1
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0084	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0066	0.0068
Brugia malayi	dihydrolipoamide S-acetyltransferase precursor, putative	0.0084	0.0272	0.0282
Mycobacterium tuberculosis	Biotinylated protein TB7.3	0.0084	0.0272	0.0558
Trypanosoma brucei	glutamine hydrolysing (not ammonia-dependent) carbomoyl phosphate synthase, putative	0.0206	0.0787	0.0787
Leishmania major	acetyl-CoA carboxylase, putative	0.2393	1	1
Mycobacterium tuberculosis	Probable pyruvate carboxylase Pca (pyruvic carboxylase)	0.0911	0.3759	1
Toxoplasma gondii	pyruvate carboxylase	0.0911	0.3759	0.3759
Mycobacterium ulcerans	bifunctional protein acetyl-/propionyl-coenzyme a carboxylase (alpha chain) AccA3	0.0911	0.3759	1
Plasmodium vivax	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, putative	0.0084	0.0272	0.0288
Chlamydia trachomatis	acetyl-coenzyme A carboxylase carboxyl transferase subunit beta	0.0324	0.1285	0.3233
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0066	0.0068
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 5 AccD5	0.0324	0.1285	0.3301
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0066	0.0068
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0911	0.3759	0.6102
Plasmodium vivax	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, putative	0.0084	0.0272	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0066	0.0068
Mycobacterium tuberculosis	Acetyl/propionyl-CoA carboxylase (beta subunit) AccD6	0.0324	0.1285	0.3301
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0066	0.0066
Echinococcus granulosus	dihydrolipoyllysine residue succinyltransferase	0.0084	0.0272	0.0272
Toxoplasma gondii	carbamoylphosphate synthetase	0.0206	0.0787	0.0787
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0066	0.0066
Plasmodium falciparum	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.1732	0.7214	1
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0911	0.3759	0.3759
Mycobacterium leprae	Probable propyonyl-CoA carboxylase beta chain 4 AccD4 (Pccase)	0.0324	0.1285	0.3301
Trypanosoma brucei	dihydrolipoamide branched chain transacylase, putative	0.0084	0.0272	0.0272
Plasmodium falciparum	dihydrolipoamide acyltransferase component E2	0.0084	0.0272	0.0377
Trypanosoma cruzi	acetyl-CoA carboxylase, putative	0.0324	0.1285	0.2086
Plasmodium falciparum	lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex	0.0084	0.0272	0.0377
Schistosoma mansoni	acetyl-CoA carboxylase	0.2393	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0066	0.0066
Leishmania major	hypothetical protein, conserved	0.0035	0.0066	0.0066
Trypanosoma brucei	acetyl-CoA carboxylase	0.2393	1	1
Mycobacterium leprae	Probable biotinylated protein homolog TB7.3	0.0084	0.0272	0.0558
Leishmania major	dihydrolipoamide acetyltransferase precursor, putative	0.0084	0.0272	0.0272
Leishmania major	dihydrolipoamide acetyltransferase precursorlike protein	0.0084	0.0272	0.0272
Trypanosoma brucei	3-methylcrotonyl-CoA carboxylase alpha subunit, putative	0.0911	0.3759	0.3759
Plasmodium vivax	carbamoyl phosphate synthetase, putative	0.0206	0.0787	0.1009
Entamoeba histolytica	acetyl-coA carboxylase, putative	0.0408	0.1638	1
Echinococcus multilocularis	Biotin lipoyl attachment	0.0084	0.0272	0.0272
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0066	1
Toxoplasma gondii	dihydrolipoamide acyltransferase, putative	0.0084	0.0272	0.0272
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0324	0.1285	0.2086
Mycobacterium tuberculosis	Probable branched-chain keto acid dehydrogenase E2 component BkdC	0.0084	0.0272	0.0558
Echinococcus multilocularis	dihydrolipoyllysine residue succinyltransferase	0.0084	0.0272	0.0272
Trypanosoma brucei	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0324	0.1285	0.1285
Mycobacterium ulcerans	pyruvate carboxylase	0.0911	0.3759	1
Plasmodium falciparum	dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex	0.0084	0.0272	0.0377
Toxoplasma gondii	acetyl-coA carboxylase ACC2	0.2393	1	1
Trypanosoma cruzi	glutamine dependent carbamoyl-phosphate synthase, putative	0.0206	0.0787	0.1278
Trypanosoma cruzi	3-methylcrotonyl-CoA carboxylase, putative	0.0911	0.3759	0.6102
Plasmodium vivax	biotin carboxylase subunit of acetyl CoA carboxylase, putative	0.1732	0.7214	1
Leishmania major	propionyl-coa carboxylase beta chain, putative	0.0324	0.1285	0.1285
Trypanosoma cruzi	glutamine-dependent carbamoyl-phosphate synthetase, putative	0.0206	0.0787	0.1278
Onchocerca volvulus		0.0035	0.0066	0.5
Trypanosoma brucei	unspecified product	0.0599	0.2443	0.2443
Mycobacterium ulcerans	carbamoyl phosphate synthase large subunit	0.0206	0.0787	0.1952
Toxoplasma gondii	2-oxo acid dehydrogenases acyltransferase (catalytic domain) domain-containing protein	0.0084	0.0272	0.0272
Leishmania major	dihydrolipoamide branched chain transacylase, putative	0.0084	0.0272	0.0272
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E2	0.0084	0.0272	0.0272
Treponema pallidum	pyruvate carboxylase subunit B	0.0084	0.0272	0.5
Mycobacterium ulcerans	hypothetical protein	0.0084	0.0272	0.0558
Toxoplasma gondii	dihydrolipoyllysine-residue succinyltransferase component of oxoglutarate dehydrogenase	0.0084	0.0272	0.0272
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain, AccA2	0.0911	0.3759	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0272	0.0282
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.0858	0.2144
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0066	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0066	0.0066
Trypanosoma brucei	2-oxoglutarate dehydrogenase E2 component, putative	0.0084	0.0272	0.0272
Plasmodium falciparum	carbamoyl phosphate synthetase	0.0206	0.0787	0.1091
Schistosoma mansoni	pyruvate carboxylase	0.0911	0.3759	0.3759
Trypanosoma brucei	dihydrolipoamide acetyltransferase E2 subunit, putative	0.0084	0.0272	0.0272
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0066	0.0107
Brugia malayi	Carboxyl transferase domain containing protein	0.2309	0.9647	1
Mycobacterium leprae	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (PCCASE) (PROPANOYL-COA:CARBON DIOXIDE LIGASE)	0.0324	0.1285	0.3301
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4	0.0324	0.1285	0.3301
Echinococcus granulosus	propionyl coenzyme A carboxylase alpha chain	0.0911	0.3759	0.3759
Mycobacterium tuberculosis	Probable acetyl-/propionyl-coenzyme A carboxylase alpha chain (alpha subunit) AccA2: biotin carboxylase + biotin carboxyl carrie	0.0911	0.3759	1
Leishmania major	carbamoyl-phosphate synthase, putative	0.0206	0.0787	0.0787
Onchocerca volvulus		0.0035	0.0066	0.5
Mycobacterium leprae	Dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase complex SucB	0.0084	0.0272	0.0558
Mycobacterium ulcerans	acetyl-/propionyl-coenzyme a carboxylase alpha chain AccA1	0.0911	0.3759	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0066	0.0068
Giardia lamblia	Acetyl-CoA carboxylase/pyruvate carboxylase fusion protein, putative	0.0408	0.1638	1
Echinococcus multilocularis	dihydrolipoyllysine residue acetyltransferase	0.0084	0.0272	0.0272
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0066	0.0066
Echinococcus granulosus	Biotin lipoyl attachment	0.0084	0.0272	0.0272
Mycobacterium ulcerans	acetyl-/propionyl-CoA carboxylase subunit beta	0.0324	0.1285	0.3301
Wolbachia endosymbiont of Brugia malayi	Acetyl/propionyl-CoA carboxylase, alpha subunit	0.0911	0.3759	1
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0084	0.0272	0.0442
Trypanosoma brucei	pyruvate dehydrogenase complex E3 binding protein, putative	0.0084	0.0272	0.0272
Mycobacterium ulcerans	acetyl/propionyl CoA carboxylase subunit beta	0.0324	0.1285	0.3301
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0272	0.0282
Wolbachia endosymbiont of Brugia malayi	Acetyl-CoA carboxylase, carboxyltransferase component	0.0324	0.1285	0.2905
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0066	1
Toxoplasma gondii	biotin-requiring enzyme domain-containing protein	0.0084	0.0272	0.0272
Brugia malayi	Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial precursor, puta	0.0084	0.0272	0.0282
Toxoplasma gondii	ABC1 family protein	0.0035	0.0066	0.0066
Mycobacterium leprae	ACETYL/PROPIONYL-CoA CARBOXYLASE (BETA SUBUNIT) ACCD6	0.0324	0.1285	0.3301
Schistosoma mansoni	dihydrolipoamide S-acetyltransferase	0.0084	0.0272	0.0272
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0084	0.0272	0.0442
Brugia malayi	beta-lactamase family protein	0.0035	0.0066	0.0068
Toxoplasma gondii	acetyl-CoA carboxylase ACC1	0.2393	1	1
Leishmania major	methylcrotonoyl-coa carboxylase biotinylated subunitprotein-like protein	0.0911	0.3759	0.3759
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0066	0.0068
Mycobacterium ulcerans	acetyl-coenzyme a carboxylase carboxyl transferase (subunit beta) AccD3	0.0324	0.1285	0.3301
Schistosoma mansoni	dihydrolipoamide succinyltransferase component of 2-oxoglutarate dehydrogenase	0.0084	0.0272	0.0272
Brugia malayi	beta-lactamase	0.0035	0.0066	0.0068
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0084	0.0272	0.0442
Leishmania major	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0324	0.1285	0.1285
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0206	0.0787	0.0787
Trypanosoma cruzi	dihydrolipoamide branched chain transacylase, putative	0.0084	0.0272	0.0442
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0911	0.3759	0.3759
Brugia malayi	Lipoamide acyltransferase component of branched-chain alpha-keto aciddehydrogenase complex, mitochondrial precursor	0.0084	0.0272	0.0282
Echinococcus granulosus	dihydrolipoyllysine residue acetyltransferase	0.0084	0.0272	0.0272
Schistosoma mansoni	aspartate carbamoyltransferase	0.0206	0.0787	0.0787
Onchocerca volvulus		0.0035	0.0066	0.5
Schistosoma mansoni	methylcrotonyl-CoA carboxylase	0.0911	0.3759	0.3759
Trypanosoma cruzi	dihydrolipoamide acetyltransferase precursor, putative	0.0084	0.0272	0.0442
Mycobacterium ulcerans	dihydrolipoamide acetyltransferase	0.0084	0.0272	0.0558
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0066	0.0107
Mycobacterium ulcerans	propionyl-CoA carboxylase beta chain 4 AccD4_2	0.0324	0.1285	0.3301
Echinococcus granulosus	propionyl coenzyme A carboxylase beta chain	0.0324	0.1285	0.1285
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0066	1
Wolbachia endosymbiont of Brugia malayi	carbamoyl phosphate synthase large subunit	0.0206	0.0787	0.1476
Mycobacterium tuberculosis	Probable propionyl-CoA carboxylase beta chain 5 AccD5 (pccase) (propanoyl-CoA:carbon dioxide ligase)	0.0324	0.1285	0.3301
Echinococcus multilocularis	propionyl coenzyme A carboxylase beta chain	0.0324	0.1285	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0066	0.0068
Trypanosoma cruzi	3-methylcrotonoyl-CoA carboxylase beta subunit, putative	0.0324	0.1285	0.2086
Schistosoma mansoni	carbamoyl-phosphate synthetase	0.0206	0.0787	0.0787
Trypanosoma cruzi	2-oxoglutarate dehydrogenase, E2 component, dihydrolipoamide succinyltransferase, putative	0.0084	0.0272	0.0442
Trichomonas vaginalis	esterase, putative	0.0035	0.0066	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0066	0.0068
Trypanosoma cruzi	acetyl-CoA carboxylase	0.1481	0.616	1
Toxoplasma gondii	acyl-CoA carboxyltransferase beta chain, putative	0.0324	0.1285	0.1285
Chlamydia trachomatis	biotin carboxylase	0.0828	0.3406	1
Mycobacterium ulcerans	branched-chain alpha-keto acid dehydrogenase subunit E2	0.0084	0.0272	0.0558
Brugia malayi	beta-lactamase family protein	0.0035	0.0066	0.0068
Leishmania major	carboxylase, putative	0.0911	0.3759	0.3759
Schistosoma mansoni	propionyl-CoA carboxylase beta chain mitochondrial precursor	0.0324	0.1285	0.1285
Mycobacterium tuberculosis	DlaT, dihydrolipoamide acyltransferase, E2 component of pyruvate dehydrogenase	0.0084	0.0272	0.0558
Loa Loa (eye worm)	carboxyl transferase domain-containing protein	0.2309	0.9647	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0019	0.000000000036841	0.000000000036841
Echinococcus multilocularis	acetyl coenzyme A carboxylase 1	0.2393	1	1
Schistosoma mansoni	dihydrolipoamide acetyltransferase component of pyruvate dehydrogenase	0.0084	0.0272	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0272	0.0282

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 885071