TDR Targets

Basic information

Technical information

TDR Targets ID: 826707
Name: 1-[3-(4-methoxyphenoxy)propyl]-7-methylindole -2,3-dione
MW: 325.358 | Formula: C19H19NO4
H donors: 0 H acceptors: 2 LogP: 3.26 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)OCCCN1C(=O)C(=O)c2c1c(C)ccc2
InChi: 1S/C19H19NO4/c1-13-5-3-6-16-17(13)20(19(22)18(16)21)11-4-12-24-15-9-7-14(23-2)8-10-15/h3,5-10H,4,11-12H2,1-2H3
InChiKey: DWFFQTLGAYSOJO-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

1-[3-(4-methoxyphenoxy)propyl]-7-methyl-indoline-2,3-dione
1-[3-(4-methoxyphenoxy)propyl]-7-methylindoline-2,3-dione
1-[3-(4-methoxyphenoxy)propyl]-7-methyl-isatin
1-[3-(4-methoxyphenoxy)propyl]-7-methyl-indole-2,3-dione
ZINC04853137

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	serine:threonine protein kinase 12 B	0.0425	0.0724	0.0708
Echinococcus multilocularis		0.021	0.0302	0.0081
Echinococcus granulosus	aurora kinase A	0.0425	0.0724	0.0708
Echinococcus multilocularis	roundabout 2	0.0223	0.0326	0.0116
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.021	0.0302	0.5
Loa Loa (eye worm)	AUR protein kinase	0.0425	0.0724	0.2036
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0248	0.0324
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.1554	0.2942	1
Trypanosoma brucei	polo-like protein kinase	0.1554	0.2942	1
Loa Loa (eye worm)	hypothetical protein	0.0205	0.0292	0.0482
Toxoplasma gondii	aurora kinase	0.0425	0.0724	1
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.021	0.0302	0.5
Trypanosoma cruzi	polo-like protein kinase, putative	0.1554	0.2942	1
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0248	0.0324
Brugia malayi	serine/threonine-protein kinase plk-2	0.1554	0.2942	1
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0248	0.0324
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0183	0.0248	0.0248
Echinococcus granulosus	neuroglian	0.02	0.0282	0.0051
Trypanosoma brucei	cytochrome P450, putative	0.0347	0.0571	0.1018
Loa Loa (eye worm)	cytochrome P450 family protein	0.0347	0.0571	0.1485
Brugia malayi	Cytochrome P450 family protein	0.0347	0.0571	0.1199
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.021	0.0302	0.5
Schistosoma mansoni	cytochrome P450	0.021	0.0302	0.0302
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.021	0.0302	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0425	0.0724	0.0724
Trypanosoma cruzi	cytochrome P450, putative	0.0347	0.0571	0.1018
Trichomonas vaginalis	CAMK family protein kinase	0.1554	0.2942	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0806	0.1472	0.4722
Echinococcus multilocularis	Serine:threonine protein kinase PLK4	0.3607	0.6974	1
Brugia malayi	serine/threonine kinase 12	0.0425	0.0724	0.1769
Echinococcus multilocularis	aurora kinase A	0.0425	0.0724	0.0708
Brugia malayi	serine/threonine-protein kinase 6	0.0425	0.0724	0.1769
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.021	0.0302	0.5
Mycobacterium leprae	putative cytochrome p450	0.021	0.0302	0.5
Onchocerca volvulus	Serine\/threonine kinase homolog	0.1554	0.2942	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0347	0.0571	1
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0425	0.0724	0.5
Schistosoma mansoni	cell adhesion molecule	0.0205	0.0292	0.0292
Onchocerca volvulus	Tyrosine kinase homolog	0.105	0.1952	0.0634
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.021	0.0302	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.021	0.0302	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.1554	0.2942	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0347	0.0571	0.1485
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0248	0.0324
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.1554	0.2942	0.4005
Loa Loa (eye worm)	hypothetical protein	0.0223	0.0326	0.0605
Schistosoma mansoni	protein kinase	0.0425	0.0724	0.0724
Echinococcus multilocularis	neuroglian	0.02	0.0282	0.0051
Loa Loa (eye worm)	cytochrome P450	0.021	0.0302	0.052
Echinococcus granulosus	twitchin	0.0214	0.0308	0.009
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0248	0.0324
Brugia malayi	Immunoglobulin I-set domain containing protein	0.1238	0.232	0.7693
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.021	0.0302	0.5
Loa Loa (eye worm)	hypothetical protein	0.0183	0.0248	0.0324
Schistosoma mansoni	vesicular amine transporter	0.0183	0.0248	0.0248
Trypanosoma cruzi	cytochrome P450, putative	0.0347	0.0571	0.1018
Trypanosoma brucei	aurora B kinase	0.0425	0.0724	0.1599
Brugia malayi	Cytochrome P450 family protein	0.0806	0.1472	0.4545
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.021	0.0302	0.5
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0425	0.0724	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0205	0.0292	0.0065
Loa Loa (eye worm)	AUR protein kinase	0.0425	0.0724	0.2036
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.021	0.0302	0.5
Echinococcus granulosus	Serine:threonine protein kinase PLK4	0.3607	0.6974	1
Loa Loa (eye worm)	AUR protein kinase	0.0425	0.0724	0.2036
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.021	0.0302	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0347	0.0571	0.1485
Echinococcus granulosus	cytochrome P450 2K1	0.021	0.0302	0.0081
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.1554	0.2942	1
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.021	0.0302	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.021	0.0302	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.021	0.0302	0.5
Brugia malayi	Cytochrome P450 family protein	0.0347	0.0571	0.1199
Loa Loa (eye worm)	hypothetical protein	0.0223	0.0326	0.0605
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.021	0.0302	0.5
Schistosoma mansoni	hypothetical protein	0.021	0.0302	0.0302
Trichomonas vaginalis	CAMK family protein kinase	0.1554	0.2942	1
Trypanosoma cruzi	aurora B kinase, putative	0.0425	0.0724	0.1599
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.021	0.0302	0.5
Entamoeba histolytica	serine/threonine protein kinase, putative	0.1554	0.2942	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.1554	0.2942	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.021	0.0302	0.5
Leishmania major	protein kinase, putative	0.0425	0.0724	0.1599
Brugia malayi	Cytochrome P450 family protein	0.021	0.0302	0.0202
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.021	0.0302	0.5
Leishmania major	cytochrome p450-like protein	0.0347	0.0571	0.1018
Giardia lamblia	Kinase, PLK	0.1554	0.2942	1
Brugia malayi	cytochrome P450	0.021	0.0302	0.0202
Echinococcus granulosus	roundabout 2	0.0223	0.0326	0.0116
Brugia malayi	serine/threonine protein kinase 6	0.0425	0.0724	0.1769
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.021	0.0302	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.1554	0.2942	1
Trichomonas vaginalis	CAMK family protein kinase	0.1554	0.2942	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0183	0.0248	0.0248
Trichomonas vaginalis	CAMK family protein kinase	0.1554	0.2942	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.1238	0.232	0.7768
Schistosoma mansoni	nephrin	0.02	0.0282	0.0282
Schistosoma mansoni	serine/threonine protein kinase	0.1554	0.2942	0.2942
Trichomonas vaginalis	CAMK family protein kinase	0.1554	0.2942	1
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.021	0.0302	0.5
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.1554	0.2942	0.4005
Mycobacterium leprae	Conserved hypothetical protein	0.021	0.0302	0.5
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0425	0.0724	0.0708

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 826707