TDR Targets

Basic information

Technical information

TDR Targets ID: 880316
Name: [2-[(4-chloro-2-methylphenyl)amino]-2-oxoethy l] 2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoa te
MW: 428.866 | Formula: C22H21ClN2O5
H donors: 1 H acceptors: 4 LogP: 4.08 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1C)Cl)COC(=O)C(N1C(=O)c2c(C1=O)cccc2)C(C)C
InChi: 1S/C22H21ClN2O5/c1-12(2)19(25-20(27)15-6-4-5-7-16(15)21(25)28)22(29)30-11-18(26)24-17-9-8-14(23)10-13(17)3/h4-10,12,19H,11H2,1-3H3,(H,24,26)
InChiKey: DSCKNQSIWGCMGB-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-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindolin-2-yl)-3-methyl-butanoate
2-(1,3-dioxo-2-isoindolinyl)-3-methylbutanoic acid [2-[(4-chloro-2-methylphenyl)amino]-2-oxoethyl] ester
2-(1,3-diketoisoindolin-2-yl)-3-methyl-butyric acid [2-[(4-chloro-2-methyl-phenyl)amino]-2-keto-ethyl] ester
[2-[(4-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl] 2-(1,3-dioxoisoindol-2-yl)-3-methyl-butanoate
ST5202446

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
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0113	0.3619	0.3197
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0776	0.0903
Echinococcus granulosus	aldo keto reductase	0.0031	0.062	0.0992
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Loa Loa (eye worm)	protein-S isoprenylcysteine O-methyltransferase	0.0113	0.3619	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0776	0.0903
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Leishmania major	prenyl protein specific carboxyl methyltransferase, putative	0.0113	0.3619	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0776	0.1462
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0776	0.2144
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0776	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0031	0.062	0.1714
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0776	0.1123
Schistosoma mansoni	pol-related	0.0031	0.062	0.0535
Onchocerca volvulus		0.0031	0.062	0.6482
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0776	0.0519
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0333	0.0921
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0776	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0776	0.2144
Onchocerca volvulus		0.0031	0.062	0.6482
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0333	0.01
Onchocerca volvulus		0.0031	0.062	0.6482
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0333	0.0921
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0333	0.0479
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Leishmania major	hypothetical protein, conserved	0.0035	0.0776	0.1347
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0113	0.3619	0.3197
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0118	0.0325
Brugia malayi	beta-lactamase family protein	0.0035	0.0776	0.2144
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0776	0.2144
Echinococcus granulosus	aldo keto reductase	0.0031	0.062	0.0992
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Loa Loa (eye worm)	oxidoreductase	0.0031	0.062	0.1714
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0776	0.2144
Trichomonas vaginalis	protein-S isoprenylcysteine O-methyltransferase, putative	0.0113	0.3619	0.3197
Echinococcus multilocularis	aldo keto reductase	0.0031	0.062	0.0992
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.014	0.4619	1
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.0113	0.3619	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0776	0.0519
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0776	0.0903
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0776	0.146
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Echinococcus multilocularis	lamin	0.0026	0.0451	0.0483
Schistosoma mansoni	protein-s-isoprenylcysteine o-methyltransferase	0.0113	0.3619	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.014	0.4619	0.5909
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0333	0.0479
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0118	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0776	0.2144
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0451	0.1245
Echinococcus granulosus	protein S isoprenylcysteine O methyltransferase	0.0113	0.3619	1
Schistosoma mansoni	aldo-keto reductase	0.0031	0.062	0.0535
Trichomonas vaginalis	esterase, putative	0.0035	0.0776	0.0166
Entamoeba histolytica	aldose reductase, putative	0.0031	0.062	0.0297
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.0113	0.3619	0.3399
Echinococcus multilocularis	aldo keto reductase	0.0031	0.062	0.0992
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0333	0.0479
Onchocerca volvulus		0.0026	0.0451	0.2651
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.062	0.1714
Leishmania major	prostaglandin f synthase, putative	0.0031	0.062	0.0873
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0286	1	1
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0451	0.1245
Loa Loa (eye worm)	oxidoreductase	0.0031	0.062	0.1714
Echinococcus granulosus	lamin dm0	0.0026	0.0451	0.0483
Echinococcus multilocularis	musashi	0.0026	0.0451	0.0483
Giardia lamblia	Isoprenylcysteine carboxyl methyltransferase	0.0113	0.3619	0.3197
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Echinococcus multilocularis	aldo keto reductase	0.0031	0.062	0.0992
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0776	0.1462
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0776	0.2144
Echinococcus granulosus	aldo keto reductase	0.0031	0.062	0.0992
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0333	0.0921
Plasmodium falciparum	protein-S-isoprenylcysteine O-methyltransferase, putative	0.0113	0.3619	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0333	0.0479
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0776	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0333	0.0921
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0776	0.188
Onchocerca volvulus		0.0035	0.0776	1
Onchocerca volvulus		0.0031	0.062	0.6482
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0333	0.0479
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.776	1
Toxoplasma gondii	ABC1 family protein	0.0035	0.0776	0.0519
Toxoplasma gondii	isoprenylcysteine carboxyl methyltransferase (icmt) family protein	0.0113	0.3619	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0118	0.0325
Echinococcus granulosus	intermediate filament protein	0.0026	0.0451	0.0483
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0333	0.0479
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0776	0.0166
Entamoeba histolytica	aldose reductase, putative	0.0031	0.062	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0333	0.0921
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	0.062	0.0873
Onchocerca volvulus		0.0031	0.062	0.6482
Leishmania major	aldo-keto reductase-like protein	0.0031	0.062	0.0873
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.014	0.4619	1
Entamoeba histolytica	aldose reductase, putative	0.0031	0.062	0.0297
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0776	0.1027
Onchocerca volvulus		0.0035	0.0776	1
Loa Loa (eye worm)	oxidoreductase	0.0031	0.062	0.1714
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0776	0.0903
Onchocerca volvulus		0.0031	0.062	0.6482
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0118	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0118	0.0325
Onchocerca volvulus		0.0026	0.0451	0.2651
Entamoeba histolytica	prenyl cysteine carboxyl methyltransferase, putative	0.0113	0.3619	0.3399
Trypanosoma cruzi	prenyl protein specific carboxyl methyltransferase, putative	0.0113	0.3619	1
Schistosoma mansoni	aldo-keto reductase	0.0031	0.062	0.0535
Brugia malayi	beta-lactamase family protein	0.0035	0.0776	0.2144
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0451	0.1245
Loa Loa (eye worm)	oxidoreductase	0.0031	0.062	0.1714
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.062	0.1714
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.062	0.1714
Echinococcus multilocularis		0.0113	0.3619	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0776	0.2144
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0333	0.0326
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Mycobacterium ulcerans	lipase LipD	0.0035	0.0776	0.1462
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0776	0.1462
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0776	0.0166
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0333	0.0479
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0776	0.0903
Loa Loa (eye worm)	oxidoreductase	0.0031	0.062	0.1714
Onchocerca volvulus		0.0035	0.0776	1
Echinococcus multilocularis	aldo keto reductase	0.0031	0.062	0.0992
Mycobacterium tuberculosis	Conserved hypothetical membrane protein	0.0049	0.1287	0.1569
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0776	0.2144
Echinococcus granulosus	hypothetical protein	0.0031	0.062	0.0992
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Brugia malayi	intermediate filament protein	0.0026	0.0451	0.1245
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.062	0.0763
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0776	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0433	0.1196
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0118	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.062	0.1714
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0776	0.0903
Echinococcus granulosus	lamin	0.0026	0.0451	0.0483
Plasmodium vivax	protein-S-isoprenylcysteine O-methyltransferase, putative	0.0113	0.3619	1
Mycobacterium ulcerans	hypothetical protein	0.0049	0.1287	0.2598
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0333	0.0326
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0776	0.0903
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0118	0.0045
Treponema pallidum	fructose-bisphosphate aldolase	0.0286	1	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0333	0.0921
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.062	0.07
Giardia lamblia	Fructose-bisphosphate aldolase	0.0286	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0333	0.01
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0776	0.1027
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0776	0.0519
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0776	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0776	0.2144
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0333	0.0479
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0776	0.0903
Echinococcus multilocularis	lamin dm0	0.0026	0.0451	0.0483
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	0.062	0.0873
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992
Brugia malayi	beta-lactamase	0.0035	0.0776	0.2144
Brugia malayi	protein-S isoprenylcysteine O-methyltransferase, putative	0.0113	0.3619	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.062	0.0992
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0776	0.0166
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0776	0.146
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0286	1	1
Mycobacterium ulcerans	oxidoreductase	0.0031	0.062	0.1117
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0776	0.1123
Trypanosoma brucei	prenyl protein specific carboxyl methyltransferase	0.0113	0.3619	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0451	0.1245
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.062	0.0992

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 880316