TDR Targets

Basic information

Technical information

TDR Targets ID: 1470082
Name: 2-(4-ethylphenoxy)-N-(3-imino-1H-isoindol-2-y l)acetamide
MW: 309.362 | Formula: C18H19N3O2
H donors: 1 H acceptors: 1 LogP: 3.05 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)OCC(=O)NN1Cc2c(C1=N)cccc2
InChi: 1S/C18H19N3O2/c1-2-13-7-9-15(10-8-13)23-12-17(22)20-21-11-14-5-3-4-6-16(14)18(21)19/h3-10,19H,2,11-12H2,1H3,(H,20,22)
InChiKey: VXZXDYKAUCNLRX-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-ethylphenoxy)-N-(1-iminoisoindolin-2-yl)acetamide
2-(4-ethylphenoxy)-N-(1-imino-2-isoindolinyl)acetamide
2-(4-ethylphenoxy)-N-(3-imino-1H-isoindol-2-yl)ethanamide

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	0.0035	0.0959	0.0855
Trypanosoma brucei	unspecified product	0.002	0.0277	0.0897
Loa Loa (eye worm)	hypothetical protein	0.002	0.0277	0.0165
Brugia malayi	MH2 domain containing protein	0.0118	0.47	0.4639
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0236	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1687	0.1591
Schistosoma mansoni	CREB-binding protein 2	0.01	0.3898	0.3828
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0277	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0236	1	1
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0236	1	1
Echinococcus multilocularis	CREB binding protein	0.0069	0.248	0.2393
Echinococcus multilocularis	dna polymerase eta	0.002	0.0277	0.0165
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0277	0.5
Loa Loa (eye worm)	CBP-B	0.007	0.2519	0.2433
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0277	0.0165
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0277	0.0165
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2637	0.2552
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0277	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.5095	0.5039
Echinococcus granulosus	dna polymerase kappa	0.002	0.0277	0.0165
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0277	0.0165
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.0277	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0277	0.0897
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0236	1	1
Toxoplasma gondii	transporter, cation channel family protein	0.0082	0.3083	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1497	0.1399
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1497	0.1399
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.5095	0.5039
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3083	0.3004
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1687	0.1591
Echinococcus multilocularis	CREB binding protein	0.0016	0.0125	0.0012
Echinococcus granulosus	CREB binding protein	0.01	0.3898	0.3828
Echinococcus granulosus	dna polymerase eta	0.002	0.0277	0.0165
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Schistosoma mansoni	hypothetical protein	0.0035	0.0959	0.0855
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.47	0.4639
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0082	0.3083	1
Echinococcus multilocularis	CREB binding protein	0.0016	0.0125	0.0012
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.5095	0.5039
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0277	0.5
Loa Loa (eye worm)	RNA binding protein	0.0127	0.5095	0.5039
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.01	0.3898	0.3828
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Giardia lamblia	DINP protein human, muc B family	0.002	0.0277	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0277	0.0897
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1687	0.1591
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0277	0.0165
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0.0277	0.5
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0236	1	1
Schistosoma mansoni	DNA polymerase eta	0.002	0.0277	0.0165
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0236	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1497	0.1399
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0236	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1497	0.1399
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1497	0.1399
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1687	0.1591
Leishmania major	DNA polymerase kappa, putative	0.002	0.0277	0.5
Loa Loa (eye worm)	calcium channel	0.0236	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.0277	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0277	0.0897
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1497	0.1399
Brugia malayi	RNA binding protein	0.0127	0.5095	0.5039
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.5095	0.5039
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.5095	0.5039
Echinococcus multilocularis	voltage dependent calcium channel	0.0236	1	1
Echinococcus granulosus	CREB binding protein	0.0016	0.0125	0.0012
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.5095	0.5039
Echinococcus multilocularis	voltage dependent calcium channel	0.0236	1	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0277	0.5
Echinococcus multilocularis	CREB binding protein	0.0016	0.0125	0.0012
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0277	0.0165
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0277	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1497	0.1399
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0082	0.3083	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1504	0.1406
Leishmania major	DNA polymerase eta, putative	0.002	0.0277	0.5
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0277	0.0165
Schistosoma mansoni	voltage-gated cation channel	0.0236	1	1
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0236	1	1
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0277	0.0165
Echinococcus granulosus	voltage dependent calcium channel	0.0082	0.3083	0.3004
Echinococcus granulosus	CREB binding protein	0.0016	0.0125	0.0012
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.5095	0.5039
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Echinococcus granulosus	tar DNA binding protein	0.0127	0.5095	0.5039
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0236	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0959	0.0855
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0277	0.0897
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1497	0.1399
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1497	0.1399
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.47	0.4639
Echinococcus granulosus	CREB binding protein	0.0062	0.2169	0.2078
Echinococcus granulosus	voltage dependent calcium channel	0.0236	1	1
Brugia malayi	TAR-binding protein	0.0127	0.5095	0.5039
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0082	0.3083	0.3004
Loa Loa (eye worm)	hypothetical protein	0.0072	0.2637	0.2552
Brugia malayi	TAZ zinc finger family protein	0.01	0.3898	0.3828
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0236	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.5095	0.5039
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.5095	0.5039
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.0277	0.0897

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

ChEMBL: CHEMBL1622420

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1470082