TDR Targets

Basic information

Technical information

TDR Targets ID: 787157
Name: N-(2-chloro-4-methylphenyl)-3-[(2-methyl-1-pr opanoyl-2,3-dihydroindol-5-yl)sulfonyl]propan amide
MW: 448.963 | Formula: C22H25ClN2O4S
H donors: 1 H acceptors: 4 LogP: 3.26 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)N1C(C)Cc2c1ccc(c2)S(=O)(=O)CCC(=O)Nc1ccc(cc1Cl)C
InChi: 1S/C22H25ClN2O4S/c1-4-22(27)25-15(3)12-16-13-17(6-8-20(16)25)30(28,29)10-9-21(26)24-19-7-5-14(2)11-18(19)23/h5-8,11,13,15H,4,9-10,12H2,1-3H3,(H,24,26)
InChiKey: WMSUEYHUHLEOJU-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-(2-chloro-4-methyl-phenyl)-3-(2-methyl-1-propanoyl-indolin-5-yl)sulfonyl-propanamide
N-(2-chloro-4-methylphenyl)-3-[[2-methyl-1-(1-oxopropyl)-5-indolinyl]sulfonyl]propanamide
N-(2-chloro-4-methyl-phenyl)-3-(2-methyl-1-propionyl-indolin-5-yl)sulfonyl-propionamide
N-(2-chloro-4-methyl-phenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
EU-0059301

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
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4577	0.6705
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0344	0.0447
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0183	0.5863	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0096	0.2549	0.5536
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.1141	0.1625
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.2064	0.3474
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0059	0.1141	0.1888
Chlamydia trachomatis	hypothetical protein	0.0038	0.0344	0.5
Echinococcus multilocularis	geminin	0.0169	0.5339	0.91
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.2064	0.2989
Echinococcus multilocularis	muscleblind protein	0.0149	0.4577	0.7791
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.4577	0.7791
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Brugia malayi	Trypsin family protein	0.0094	0.2485	0.3612
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0344	1
Plasmodium vivax	protease, putative	0.0038	0.0344	0.9985
Echinococcus granulosus	CAAX prenyl protease 2	0.0183	0.5863	1
Schistosoma mansoni	hypothetical protein	0.0169	0.5339	0.91
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Brugia malayi	Pre-SET motif family protein	0.0208	0.6807	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2485	0.3612
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.1141	0.1888
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0292	1	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0086	0.2183	0.4618
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.2064	0.3474
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Onchocerca volvulus		0.0094	0.2485	0.311
Echinococcus multilocularis	lysine specific demethylase 5A	0.0059	0.1141	0.1888
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0086	0.2183	0.4618
Brugia malayi	glutathione reductase	0.0038	0.0344	0.0447
Brugia malayi	Muscleblind-like protein	0.0149	0.4577	0.6705
Toxoplasma gondii	hypothetical protein	0.0038	0.0344	0.9985
Mycobacterium tuberculosis	Probable dehydrogenase	0.0086	0.2183	0.4618
Loa Loa (eye worm)	hypothetical protein	0.0183	0.5863	0.8606
Onchocerca volvulus		0.0088	0.2252	0.2813
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0292	1	1
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0183	0.5863	1
Brugia malayi	CAAX amino terminal protease family protein	0.0183	0.5863	0.8606
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0344	1
Toxoplasma gondii	hypothetical protein	0.0038	0.0344	0.9985
Schistosoma mansoni	hypothetical protein	0.0169	0.5339	0.91
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Brugia malayi	Thioredoxin reductase	0.0038	0.0344	0.0447
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0094	0.2485	0.4197
Echinococcus multilocularis	CAAX prenyl protease 2	0.0183	0.5863	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.1141	0.1888
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0344	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0143	0.4327	1
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0061	0.1233	0.1762
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0364	0.062
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0086	0.2183	0.4618
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0143	0.4327	1
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0183	0.5863	1
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0183	0.5863	0.5281
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0183	0.5863	1
Schistosoma mansoni	jumonji domain containing protein	0.0059	0.1141	0.1888
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0096	0.2549	0.5536
Loa Loa (eye worm)	hypothetical protein	0.0083	0.2064	0.2989
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0143	0.4327	1
Entamoeba histolytica	CAAX prenyl protease family	0.0183	0.5863	0.5716
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0292	1	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2485	0.3612
Echinococcus multilocularis	dnaJ subfamily C 6	0.0061	0.1233	0.2047
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0183	0.5863	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0094	0.2485	0.4197
Brugia malayi	DnaJ domain containing protein	0.0061	0.1233	0.1762
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.2064	0.352
Echinococcus granulosus	dnaJ subfamily C 6	0.0061	0.1233	0.2104
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0096	0.2549	0.5536
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0364	0.0553
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0086	0.2183	0.4618
Schistosoma mansoni	hypothetical protein	0.0061	0.1233	0.2047
Onchocerca volvulus		0.0237	0.7898	1
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0344	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0292	1	1
Onchocerca volvulus		0.0083	0.2064	0.2574
Echinococcus granulosus	muscleblind protein	0.0149	0.4577	0.7807
Plasmodium falciparum	glutathione reductase	0.0038	0.0344	1
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.7898	0.7602
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0038	0.0344	0.9985
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0344	0.0447
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0183	0.5863	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.6807	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0042	0.0071
Brugia malayi	jmjC domain containing protein	0.0059	0.1141	0.1625
Brugia malayi	jmjC domain containing protein	0.0059	0.1141	0.1625
Loa Loa (eye worm)	hypothetical protein	0.0149	0.4577	0.6705
Mycobacterium tuberculosis	Probable reductase	0.0086	0.2183	0.4618
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.1141	0.1946
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0059	0.1141	0.1946
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0096	0.2549	0.1705
Echinococcus granulosus	geminin	0.0169	0.5339	0.9106
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0344	0.0001

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 787157