TDR Targets

Basic information

Technical information

TDR Targets ID: 801517
Name: 3-[(4-ethylphenyl)amino]-2-pyridin-3-yl-3H-is oindol-1-one
MW: 329.395 | Formula: C21H19N3O
H donors: 1 H acceptors: 2 LogP: 4.05 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)NC1c2ccccc2C(=O)N1c1cccnc1
InChi: 1S/C21H19N3O/c1-2-15-9-11-16(12-10-15)23-20-18-7-3-4-8-19(18)21(25)24(20)17-6-5-13-22-14-17/h3-14,20,23H,2H2,1H3
InChiKey: SIDDDNKPKWZSDS-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

3-[(4-ethylphenyl)amino]-2-(3-pyridyl)isoindolin-1-one
3-[(4-ethylphenyl)amino]-2-(3-pyridyl)-1-isoindolinone

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
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1463	0.1463
Brugia malayi	thymidylate synthase	0.0335	0.7592	1
Echinococcus multilocularis	cpg binding protein	0.0033	0.0648	0.0578
Mycobacterium tuberculosis	Hypothetical protein	0.0159	0.3558	0.4072
Brugia malayi	beta-lactamase family protein	0.0039	0.0787	0.09
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0787	0.0896
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0335	0.7592	0.7592
Brugia malayi	beta-lactamase family protein	0.0039	0.0787	0.09
Trichomonas vaginalis	esterase, putative	0.0039	0.0787	0.2082
Brugia malayi	TAR-binding protein	0.0068	0.1463	0.1803
Loa Loa (eye worm)	RNA binding protein	0.0068	0.1463	0.18
Mycobacterium ulcerans	thymidylate synthase	0.0335	0.7592	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0787	0.2082
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1463	0.1463
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0335	0.7592	1
Echinococcus multilocularis	dnaJ subfamily B	0.044	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0044
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1463	0.1463
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0787	0.0787
Schistosoma mansoni	cpg binding protein	0.0033	0.0648	0.0648
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0335	0.7592	1
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.1463	0.18
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0787	0.09
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0787	0.2082
Echinococcus multilocularis	thymidylate synthase	0.0335	0.7592	0.7573
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0787	0.2082
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.1463	0.18
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0248	0.5579	0.7043
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.1463	0.1399
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0787	0.2082
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0335	0.7592	1
Echinococcus granulosus	cpg binding protein	0.0033	0.0648	0.0578
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0335	0.7592	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.1403	0.1403
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0608	0.0655
Brugia malayi	RNA binding protein	0.0068	0.1463	0.1803
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0118	0.0044
Schistosoma mansoni	hypothetical protein	0.0182	0.4083	0.4083
Echinococcus granulosus	geminin	0.0182	0.4083	0.4039
Brugia malayi	hypothetical protein	0.0159	0.3558	0.4605
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0787	0.2082
Schistosoma mansoni	cpg binding protein	0.0031	0.0608	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0787	0.0896
Onchocerca volvulus		0.0039	0.0787	0.0258
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.1242	0.0668
Loa Loa (eye worm)	thymidylate synthase	0.0335	0.7592	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0787	0.0718
Echinococcus granulosus	thymidylate synthase	0.0335	0.7592	0.7573
Brugia malayi	beta-lactamase	0.0039	0.0787	0.09
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0787	0.0896
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0335	0.7592	1
Schistosoma mansoni	hypothetical protein	0.0182	0.4083	0.4083
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0159	0.3558	0.4072
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0335	0.7592	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0159	0.3558	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1463	0.1463
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.1463	0.1803
Onchocerca volvulus		0.0039	0.0787	0.0258
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0787	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0787	0.0896
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0608	0.0659
Echinococcus granulosus	tar DNA binding protein	0.0068	0.1463	0.1399
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0335	0.7592	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0787	0.0718
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0787	0.0896
Schistosoma mansoni	cpg binding protein	0.0033	0.0648	0.0648
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0335	0.7592	1
Onchocerca volvulus		0.0039	0.0787	0.0258
Echinococcus multilocularis	geminin	0.0182	0.4083	0.4039
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0787	0.0896
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1463	0.1463
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0074	0.0074
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0787	0.0787
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0787	0.0896
Onchocerca volvulus		0.0335	0.7592	1
Schistosoma mansoni	hypothetical protein	0.044	1	1

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 801517