TDR Targets

Basic information

Technical information

TDR Targets ID: 769525
Name: N-(5-chloro-2-methylphenyl)-2-[(2,3-dimethylp henyl)-methylsulfonylamino]acetamide
MW: 380.889 | Formula: C18H21ClN2O3S
H donors: 1 H acceptors: 3 LogP: 3.7 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN(S(=O)(=O)C)c1cccc(c1C)C)Nc1cc(Cl)ccc1C
InChi: 1S/C18H21ClN2O3S/c1-12-6-5-7-17(14(12)3)21(25(4,23)24)11-18(22)20-16-10-15(19)9-8-13(16)2/h5-10H,11H2,1-4H3,(H,20,22)
InChiKey: RTGYDVZSDWXYHR-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-(5-chloro-2-methyl-phenyl)-2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]acetamide
N-(5-chloro-2-methyl-phenyl)-2-[(2,3-dimethylphenyl)-mesyl-amino]acetamide
N-(5-chloro-2-methyl-phenyl)-2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]ethanamide

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 multilocularis	G2:mitotic specific cyclin B3	0.0031	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0395	0.0968
Echinococcus multilocularis	cyclins	0.0031	0.0741	0.0741
Entamoeba histolytica	hypothetical protein	0.0075	0.2286	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.3918	0.961
Onchocerca volvulus	Phospholipase A2 homolog	0.0068	0.2027	1
Echinococcus multilocularis	cyclins	0.0031	0.0741	0.0741
Schistosoma mansoni	cyclins	0.0031	0.0741	0.0741
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0031	0.0741	0.1818
Loa Loa (eye worm)	acetylcholinesterase 1	0.0127	0.4077	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.3918	0.961
Echinococcus granulosus	cyclins	0.0031	0.0741	0.0741
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0395	0.0968
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0021	0.0395	0.5
Loa Loa (eye worm)	carboxylesterase	0.0127	0.4077	1
Echinococcus multilocularis	cyclins	0.0031	0.0741	0.0741
Schistosoma mansoni	serine/threonine protein kinase	0.0296	1	1
Giardia lamblia	Hypothetical protein	0.0031	0.0741	0.5
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0741	1
Echinococcus multilocularis	cyclin b3	0.0031	0.0741	0.0741
Schistosoma mansoni	hypothetical protein	0.0126	0.4056	0.4056
Echinococcus multilocularis	acetylcholinesterase	0.0127	0.4077	0.4077
Echinococcus granulosus	carboxylesterase 5A	0.0127	0.4077	0.4077
Trichomonas vaginalis	cyclin B3, putative	0.0031	0.0741	1
Trypanosoma cruzi	cyclin, putative	0.0031	0.0741	0.5
Onchocerca volvulus		0.0031	0.0741	0.3657
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0741	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4077	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0021	0.0395	0.0395
Schistosoma mansoni	acetylcholinesterase	0.0021	0.0395	0.0395
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0741	1
Echinococcus granulosus	cyclins	0.0031	0.0741	0.0741
Schistosoma mansoni	BC026374 protein (S09 family)	0.0021	0.0395	0.0395
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0021	0.0395	0.5
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0031	0.0741	0.5
Echinococcus multilocularis	neuroligin	0.0021	0.0395	0.0395
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0031	0.0741	0.0741
Echinococcus granulosus	BC026374 protein S09 family	0.0021	0.0395	0.0395
Echinococcus multilocularis	cyclins	0.0031	0.0741	0.0741
Echinococcus multilocularis	cyclins	0.0031	0.0741	0.0741
Echinococcus multilocularis	para nitrobenzyl esterase	0.0021	0.0395	0.0395
Trichomonas vaginalis	cyclins, putative	0.0031	0.0741	1
Trypanosoma cruzi	cyclin, putative	0.0031	0.0741	0.5
Toxoplasma gondii	hypothetical protein	0.0024	0.0477	0.5
Onchocerca volvulus	Phospholipase A2 homolog	0.0068	0.2027	1
Echinococcus multilocularis	carboxylesterase 5A	0.0127	0.4077	0.4077
Trichomonas vaginalis	cyclin D, putative	0.0031	0.0741	1
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.441	0.441
Giardia lamblia	Cyclin A	0.0031	0.0741	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0021	0.0395	0.0395
Echinococcus granulosus	cyclins	0.0031	0.0741	0.0741
Trypanosoma cruzi	cyclin 6, putative	0.0031	0.0741	0.5
Echinococcus multilocularis	cyclin B	0.0031	0.0741	0.0741
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0741	1
Brugia malayi	Carboxylesterase family protein	0.0021	0.0395	0.0968
Trichomonas vaginalis	cyclin D, putative	0.0031	0.0741	1
Trichomonas vaginalis	cyclins, putative	0.0031	0.0741	1
Echinococcus granulosus	cyclins	0.0031	0.0741	0.0741
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0127	0.4077	0.4077
Loa Loa (eye worm)	carboxylesterase	0.0021	0.0395	0.0968
Entamoeba histolytica	hypothetical protein	0.0075	0.2286	1
Trichomonas vaginalis	cyclins, putative	0.0031	0.0741	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0021	0.0395	0.0395
Loa Loa (eye worm)	cyclin domain-containing protein	0.0031	0.0741	0.1818
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0031	0.0741	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0741	0.1818
Echinococcus granulosus	cyclin b3	0.0031	0.0741	0.0741
Schistosoma mansoni	hypothetical protein	0.0075	0.2286	0.2286
Schistosoma mansoni	gliotactin	0.0021	0.0395	0.0395
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0021	0.0395	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0395	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2027	0.4971
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.441	0.441
Echinococcus granulosus	acetylcholinesterase	0.0127	0.4077	0.4077
Brugia malayi	hypothetical protein	0.0075	0.2286	0.5608
Trichomonas vaginalis	cyclins, putative	0.0031	0.0741	1
Brugia malayi	Carboxylesterase family protein	0.0021	0.0395	0.0968
Brugia malayi	Carboxylesterase family protein	0.0127	0.4077	1
Onchocerca volvulus		0.0021	0.0395	0.1947
Leishmania major	cyclin	0.0031	0.0741	0.5
Echinococcus granulosus	cyclins	0.0031	0.0741	0.0741
Onchocerca volvulus		0.0021	0.0395	0.1947
Echinococcus multilocularis	cyclin B3 1	0.0031	0.0741	0.0741
Trypanosoma brucei	mitotic cyclin 6	0.0031	0.0741	0.5
Schistosoma mansoni	cyclin B3	0.0031	0.0741	0.0741
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0136	0.441	0.441
Mycobacterium ulcerans	carboxylesterase, LipT	0.0021	0.0395	0.5
Echinococcus multilocularis	cyclins	0.0031	0.0741	0.0741
Echinococcus granulosus	acetylcholinesterase	0.0127	0.4077	0.4077
Loa Loa (eye worm)	hypothetical protein	0.0127	0.4077	1
Brugia malayi	Carboxylesterase family protein	0.0127	0.4077	1
Echinococcus granulosus	cyclin B	0.0031	0.0741	0.0741
Plasmodium falciparum	cyclin	0.0031	0.0741	0.5
Trichomonas vaginalis	cyclin B, putative	0.0031	0.0741	1
Echinococcus multilocularis	cyclins	0.0031	0.0741	0.0741
Brugia malayi	MH2 domain containing protein	0.0122	0.3918	0.961
Entamoeba histolytica	hypothetical protein	0.0075	0.2286	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0021	0.0395	0.0395
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0031	0.0741	0.1818
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.2286	0.2286
Echinococcus multilocularis	acetylcholinesterase	0.0127	0.4077	0.4077
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.2286	0.2286
Onchocerca volvulus		0.0021	0.0395	0.1947
Brugia malayi	hypothetical protein	0.0021	0.0395	0.0968
Echinococcus granulosus	cyclin B3 1	0.0031	0.0741	0.0741
Loa Loa (eye worm)	carboxylesterase	0.0021	0.0395	0.0968
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0021	0.0395	0.5
Echinococcus granulosus	neuroligin	0.0021	0.0395	0.0395
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.2286	0.2286
Trichomonas vaginalis	cyclin A, putative	0.0031	0.0741	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.4056	0.4056
Brugia malayi	Carboxylesterase family protein	0.0021	0.0395	0.0968
Echinococcus multilocularis	cyclin dependent kinase 6	0.0296	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0395	0.0968
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.4056	0.4056
Brugia malayi	Phospholipase A2 family protein	0.0068	0.2027	0.4971
Onchocerca volvulus		0.0021	0.0395	0.1947
Trichomonas vaginalis	conserved hypothetical protein	0.0031	0.0741	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0021	0.0395	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0395	0.0968
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0395	0.0968
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0021	0.0395	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0068	0.2027	0.4971
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0031	0.0741	0.1818
Giardia lamblia	G2/mitotic-specific cyclin B	0.0031	0.0741	0.5
Brugia malayi	Carboxylesterase family protein	0.0021	0.0395	0.0968
Entamoeba histolytica	hypothetical protein	0.0075	0.2286	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0395	0.0968
Trichomonas vaginalis	cyclins, putative	0.0031	0.0741	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0741	0.1818
Schistosoma mansoni	cyclin B	0.0031	0.0741	0.0741
Onchocerca volvulus		0.0021	0.0395	0.1947
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0021	0.0395	0.0395

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 769525