TDR Targets

Basic information

Technical information

TDR Targets ID: 675787
Name: 2-[(4-chlorophenyl)methyl-(4-methylphenyl)sul fonylamino]-N-(furan-2-ylmethyl)acetamide
MW: 432.92 | Formula: C21H21ClN2O4S
H donors: 1 H acceptors: 3 LogP: 3.5 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN(S(=O)(=O)c1ccc(cc1)C)Cc1ccc(cc1)Cl)NCc1ccco1
InChi: 1S/C21H21ClN2O4S/c1-16-4-10-20(11-5-16)29(26,27)24(14-17-6-8-18(22)9-7-17)15-21(25)23-13-19-3-2-12-28-19/h2-12H,13-15H2,1H3,(H,23,25)
InChiKey: IVRYIHUNXYEHCL-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-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(2-furylmethyl)acetamide
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2-furylmethyl)acetamide
2-[(4-chlorobenzyl)-(4-methylphenyl)sulfonyl-amino]-N-(2-furylmethyl)acetamide
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(furan-2-ylmethyl)ethanamide
ZINC01158219

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
Brugia malayi	brahma associated protein 60 kDa	0.001	0.0011	0.0008
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0049	0.5587
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0049	0.0047
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0086	0.0084
Echinococcus multilocularis	SWI:SNF matrix associated	0.001	0.0011	0.0008
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.001	0.0011	0.0008
Schistosoma mansoni	hypothetical protein	0.001	0.0011	0.0008
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0003	0.0357
Brugia malayi	Inositol-1	0.0039	0.0086	0.0084
Brugia malayi	brahma associated protein 60 kDa	0.001	0.0011	0.0008
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0086	0.0084
Schistosoma mansoni	hypothetical protein	0.0181	0.0456	0.0453
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0049	0.0047
Schistosoma mansoni	hypothetical protein	0.001	0.0011	0.0008
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.1159	0.3014	0.3017
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0003	0.0357
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0086	1
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0003	0.0357
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0049	0.0047
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0086	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0049	0.5587
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0049	0.5587
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.003	0.3972
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.001	0.0011	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0049	0.0047
Onchocerca volvulus		0.001	0.0011	0.1678
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0033	0.003
Schistosoma mansoni	protein kinase	0.383	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0049	0.6416
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.1159	0.3014	1
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0086	1
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0086	0.0084
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0086	0.5
Loa Loa (eye worm)	hypothetical protein	0.1153	0.2999	0.3002
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0003	0.0357
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0049	0.5587
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0033	0.003
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0049	0.5587
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0003	0.0357
Loa Loa (eye worm)	brahma associated protein	0.001	0.0011	0.0008
Onchocerca volvulus		0.0025	0.0049	1
Loa Loa (eye worm)	hypothetical protein	0.3824	0.9985	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.001	0.0011	0.0008
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0049	0.5587
Echinococcus multilocularis	SWI:SNF matrix associated	0.001	0.0011	0.0008
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0049	0.5587
Trichomonas vaginalis	conserved hypothetical protein	0.001	0.0011	0.0938
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0086	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0049	0.0047
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.383	1	1
Schistosoma mansoni	brg-1 associated factor	0.001	0.0011	0.0008
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.0075	1
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0033	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.003	0.3972
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.001	0.0011	0.2614
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0086	0.0277
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.001	0.0011	0.0008
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0025	0.0049	0.6416
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0003	0.0357
Echinococcus multilocularis	SWI:SNF matrix associated	0.001	0.0011	0.0008
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0049	0.5587
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0003	0.0357
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0086	1
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0003	0.0357
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0086	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.001	0.0011	0.0008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.003	0.3972
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.0075	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0033	0.003
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0049	0.5587
Echinococcus granulosus	SWI:SNF matrix associated	0.001	0.0011	0.0008
Echinococcus granulosus	geminin	0.0181	0.0456	0.0453
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.001	0.0011	0.2614
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.001	0.0011	0.0938
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0003	0.0357
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.1159	0.3014	1
Plasmodium vivax	hypothetical protein, conserved	0.001	0.0011	0.2614
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0049	0.5587
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0003	0.0357
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0049	0.5587
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0033	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0033	0.003
Echinococcus multilocularis	geminin	0.0181	0.0456	0.0453
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0033	0.433
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0086	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0049	0.6544
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0003	0.0357
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0049	0.6544
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0086	0.0277
Schistosoma mansoni	hypothetical protein	0.0181	0.0456	0.0453
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.003	0.3972
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0033	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0049	0.5587
Loa Loa (eye worm)	inositol-1	0.0039	0.0086	0.0084
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0086	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.001	0.0011	0.2614
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0086	0.0084
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0049	0.0047
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0033	0.3588
Schistosoma mansoni	hypothetical protein	0.001	0.0011	0.0008
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0049	0.5587
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0049	0.5587
Schistosoma mansoni	protein kinase	0.383	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0033	0.003

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.

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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 675787