TDR Targets

Basic information

Technical information

TDR Targets ID: 790983
Name: hexyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo- 1,5,6,7-tetrahydroindole-2-carboxylate
MW: 413.507 | Formula: C24H31NO5
H donors: 1 H acceptors: 2 LogP: 4.89 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(C2)c1cc(OC)ccc1OC
InChi: 1S/C24H31NO5/c1-5-6-7-8-11-30-24(27)23-15(2)22-19(25-23)12-16(13-20(22)26)18-14-17(28-3)9-10-21(18)29-4/h9-10,14,16,25H,5-8,11-13H2,1-4H3
InChiKey: AFVJXIDOPXBTFX-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

6-(2,5-dimethoxyphenyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester
6-(2,5-dimethoxyphenyl)-4-keto-3-methyl-1,5,6,7-tetrahydroindole-2-carboxylic acid hexyl ester
IVK/2008432

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	neutral amino acid transporter excitatory amino acid transporter	0.0162	0.4051	0.4051
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1195	0.1195
Trypanosoma cruzi	Protein prenyltransferase alpha subunit repeat, putative	0.0044	0.059	1
Loa Loa (eye worm)	excitatory amino acid transporter	0.0365	1	1
Brugia malayi	jmjC domain containing protein	0.0036	0.0353	0.0353
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2018	0.2018
Giardia lamblia	PHD finger protein 15	0.0029	0.0173	0.0408
Brugia malayi	jmjC domain containing protein	0.0096	0.2125	0.2125
Loa Loa (eye worm)	hypothetical protein	0.0168	0.4233	0.4233
Leishmania major	importin beta-1 subunit, putative	0.0026	0.007	0.0584
Echinococcus multilocularis	Excitatory amino acid transporter	0.0365	1	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.007	0.0165
Brugia malayi	TAR-binding protein	0.0064	0.1195	0.1195
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.1195	0.1195
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0125	0.2958	0.6988
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0044	0.059	0.2395
Brugia malayi	MH2 domain containing protein	0.0132	0.317	0.317
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0509	0.0509
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0246	0.0999
Toxoplasma gondii	hypothetical protein	0.0044	0.059	0.1994
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0509	0.0509
Echinococcus multilocularis	snurportin 1	0.034	0.9256	0.9256
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.059	1
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0168	0.4233	0.4233
Echinococcus granulosus	protein prenyltransferase alpha subunit	0.0044	0.059	0.059
Brugia malayi	hypothetical protein	0.0256	0.6801	0.6801
Echinococcus granulosus	Excitatory amino acid transporter	0.0365	1	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0173	0.0173
Echinococcus granulosus	neutral amino acid transporter	0.0365	1	1
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0225	0.5882	0.5882
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	0.0365	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1195	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0103	0.0103
Schistosoma mansoni	hypothetical protein	0.0029	0.0173	0.0173
Loa Loa (eye worm)	hypothetical protein	0.0256	0.6801	0.6801
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1195	0.1195
Trypanosoma brucei	Protein prenyltransferase alpha subunit repeat, putative	0.0044	0.059	0.2395
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.1195	0.1195
Entamoeba histolytica	hypothetical protein	0.0026	0.007	0.0165
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0365	1	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0173	0.0173
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0162	0.4051	0.4051
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0168	0.4233	1
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0246	0.0581
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2018	0.2018
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	0.0365	1	0.5
Loa Loa (eye worm)	RNA binding protein	0.0064	0.1195	0.1195
Echinococcus granulosus	excitatory amino acid transporter 2	0.0365	1	1
Echinococcus multilocularis	neutral amino acid transporter A	0.0365	1	1
Brugia malayi	PHD-finger family protein	0.0029	0.0173	0.0173
Chlamydia trachomatis	glutamate symporter	0.0365	1	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.034	0.9256	0.9256
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.2018	0.2018
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0044	0.059	1
Echinococcus granulosus	peregrin	0.0029	0.0173	0.0173
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0365	1	1
Echinococcus multilocularis	geranylgeranyl transferase type 2 subunit alpha	0.0044	0.059	0.059
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0044	0.059	0.059
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0225	0.5882	0.5882
Echinococcus multilocularis	Excitatory amino acid transporter	0.0365	1	1
Giardia lamblia	Rab geranylgeranyltransferase	0.0044	0.059	0.1393
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0353	0.0353
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0168	0.4233	1
Onchocerca volvulus		0.0044	0.059	0.0424
Echinococcus multilocularis	protein prenyltransferase alpha subunit	0.0044	0.059	0.059
Plasmodium falciparum	importin beta, putative	0.0032	0.0246	0.0581
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0168	0.4233	0.4233
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0173	0.0173
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0353	0.0353
Onchocerca volvulus	Huntingtin homolog	0.0256	0.6801	0.6745
Trypanosoma cruzi	protein farnesyltransferase alpha subunit, putative	0.0044	0.059	1
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0044	0.059	0.059
Echinococcus granulosus	excitatory amino acid transporter 2	0.0365	1	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0353	0.0353
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0353	0.0353
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0246	0.0831
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2018	0.2018
Toxoplasma gondii	hypothetical protein	0.0125	0.2958	1
Schistosoma mansoni	hypothetical protein	0.0108	0.2462	0.2462
Leishmania major	protein farnesyltransferase alpha subunit, putative	0.0044	0.059	0.4934
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0173	0.0173
Trypanosoma brucei	hypothetical protein, conserved	0.0044	0.059	0.2395
Trypanosoma brucei	protein farnesyltransferase alpha subunit, putative	0.0044	0.059	0.2395
Onchocerca volvulus	Huntingtin homolog	0.0256	0.6801	0.6745
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1195	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2018	0.2018
Echinococcus granulosus	snurportin 1	0.034	0.9256	0.9256
Toxoplasma gondii	aldehyde dehydrogenase	0.0064	0.1195	0.4041
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2018	0.2018
Loa Loa (eye worm)	MH2 domain-containing protein	0.0132	0.317	0.317
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0225	0.5882	0.5882
Echinococcus granulosus	sodium:dicarboxylate symporter	0.0365	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.2018	0.2018
Plasmodium falciparum	geranylgeranyl transferase type-2 subunit alpha, putative	0.0044	0.059	0.1393
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0064	0.1195	0.1195
Entamoeba histolytica	Rab geranylgeranyltransferase alpha subunit, putative	0.0044	0.059	0.1393
Echinococcus multilocularis	neutral amino acid transporter A	0.0365	1	1
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0173	0.0173
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0353	0.0353
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0365	1	1
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0162	0.4051	0.4051
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0173	0.0584
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0168	0.4233	1
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0044	0.059	0.059
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.007	0.0165
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	0.0365	1	1
Schistosoma mansoni	hypothetical protein	0.034	0.9256	0.9256
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.007	0.1183
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0365	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.1548	0.1548
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1195	0.1195
Brugia malayi	Importin beta-1 subunit	0.0032	0.0246	0.0246
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.2125	0.2125
Toxoplasma gondii	PHD-finger domain-containing protein	0.0029	0.0173	0.0584
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0168	0.4233	1
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0246	0.0246
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0064	0.1195	0.1195
Onchocerca volvulus	Excitatory amino acid transporter homolog	0.0365	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0132	0.317	0.317
Echinococcus multilocularis	neutral amino acid transporter A	0.0365	1	1
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0103	0.0103
Plasmodium falciparum	phd finger protein, putative	0.0029	0.0173	0.0408
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0168	0.4233	0.4233
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1195	0.1195
Treponema pallidum	glutamate transporter	0.0162	0.4051	0.5
Echinococcus granulosus	excitatory amino acid transporter 3	0.0365	1	1
Echinococcus multilocularis	excitatory amino acid transporter 3	0.0365	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0064	0.1195	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.1087	0.1087
Plasmodium vivax	hypothetical protein, conserved	0.0029	0.0173	0.0408
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0162	0.4051	0.4051
Treponema pallidum	glutamate/aspartate transporter	0.0162	0.4051	0.5
Brugia malayi	RNA, U transporter 1	0.0091	0.1963	0.1963
Echinococcus granulosus	geranylgeranyl transferase type 2 subunit alpha	0.0044	0.059	0.059
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0246	0.0246
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0168	0.4233	0.4233
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0225	0.5882	0.5882
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0064	0.1195	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.007	0.0165
Trypanosoma cruzi	hypothetical protein, conserved	0.0044	0.059	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.1195	0.1195
Trypanosoma brucei	RNA helicase, putative	0.0108	0.2462	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0786	0.0786
Plasmodium vivax	protein prenyltransferase alpha subunit, putative	0.0044	0.059	0.1393
Brugia malayi	RNA binding protein	0.0064	0.1195	0.1195
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2018	0.2018
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0246	0.0999
Schistosoma mansoni	importin beta-1	0.0032	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0246	0.0246
Loa Loa (eye worm)	hypothetical protein	0.0256	0.6801	0.6801
Echinococcus multilocularis	peregrin	0.0029	0.0173	0.0173
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0044	0.059	0.1393
Brugia malayi	Bromodomain containing protein	0.0029	0.0173	0.0173
Echinococcus granulosus	neutral amino acid transporter A	0.0365	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.1195	0.1195
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0168	0.4233	0.4233
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.1195	0.1195
Echinococcus granulosus	neutral amino acid transporter A	0.0365	1	1
Giardia lamblia	Rab geranylgeranyltransferase	0.0168	0.4233	1
Echinococcus granulosus	Excitatory amino acid transporter	0.0365	1	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.2125	0.2125
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0168	0.4233	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2018	0.2018
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.1195	0.1195
Echinococcus granulosus	tar DNA binding protein	0.0064	0.1195	0.1195
Brugia malayi	hypothetical protein	0.0103	0.2334	0.2334
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0168	0.4233	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0064	0.1195	0.1195

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 790983