TDR Targets

Basic information

Technical information

TDR Targets ID: 321525
Name: 4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(3- fluorophenyl)naphthalene-1-carboxamide
MW: 442.482 | Formula: C27H23FN2O3
H donors: 2 H acceptors: 2 LogP: 5.71 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1C)C)COc1ccc(c2c1cccc2)C(=O)Nc1cccc(c1)F
InChi: 1S/C27H23FN2O3/c1-17-10-12-24(18(2)14-17)30-26(31)16-33-25-13-11-23(21-8-3-4-9-22(21)25)27(32)29-20-7-5-6-19(28)15-20/h3-15H,16H2,1-2H3,(H,29,32)(H,30,31)
InChiKey: GFWGCJODKALGPX-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

4-[2-(2,4-dimethylanilino)-2-oxo-ethoxy]-N-(3-fluorophenyl)naphthalene-1-carboxamide
4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-N-(3-fluorophenyl)-1-naphthalenecarboxamide
4-[2-[(2,4-dimethylphenyl)amino]-2-oxo-ethoxy]-N-(3-fluorophenyl)naphthalene-1-carboxamide
4-[2-(2,4-dimethylanilino)-2-keto-ethoxy]-N-(3-fluorophenyl)-1-naphthamide
4-[2-[(2,4-dimethylphenyl)amino]-2-oxoethoxy]-N-(3-fluorophenyl)naphthalene-1-carboxamide
4-[2-[(2,4-dimethylphenyl)amino]-2-oxoethoxy]-N-(3-fluorophenyl)-1-naphthalenecarboxamide
4-[2-[(2,4-dimethylphenyl)amino]-2-keto-ethoxy]-N-(3-fluorophenyl)-1-naphthamide

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	uridine phosphorylase 1	0.075	1	1
Leishmania major	methylthioadenosine phosphorylase, putative	0.0106	0.1167	1
Schistosoma mansoni	uridine phosphorylase	0.075	1	1
Echinococcus multilocularis	geminin	0.02	0.2464	0.2464
Brugia malayi	purine nucleoside phosphorylase I, inosine and guanosine-specific family protein	0.0106	0.1167	0.1167
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Schistosoma mansoni	hypothetical protein	0.02	0.2464	0.2464
Entamoeba histolytica	MTA/SAH nucleosidase, putative	0.0106	0.1167	1
Plasmodium vivax	purine nucleoside phosphorylase, putative	0.0106	0.1167	0.5
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.035	0.035
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Mycobacterium ulcerans	bifunctional Mta/Sah nucleosidase Mtn	0.0106	0.1167	1
Loa Loa (eye worm)	uridine phosphorylase	0.075	1	1
Trypanosoma brucei	methylthioadenosine phosphorylase, putative	0.0106	0.1167	1
Echinococcus multilocularis	methylthioadenosine phosphorylase	0.0106	0.1167	0.1167
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.035	0.035
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0106	0.1167	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Treponema pallidum	purine nucleoside phosphorylase (deoD)	0.0106	0.1167	0.5
Mycobacterium ulcerans	5'-methylthioadenosine phosphorylase	0.0106	0.1167	1
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0106	0.1167	1
Mycobacterium tuberculosis	Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP)	0.0106	0.1167	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.035	0.035
Echinococcus granulosus	uridine phosphorylase 1	0.075	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase I, putative	0.0106	0.1167	1
Entamoeba histolytica	hypothetical protein	0.0106	0.1167	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.035	0.035
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Schistosoma mansoni	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Schistosoma mansoni	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Schistosoma mansoni	hypothetical protein	0.02	0.2464	0.2464
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0106	0.1167	0.1167
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Echinococcus granulosus	geminin	0.02	0.2464	0.2464
Giardia lamblia	5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase	0.0106	0.1167	1
Giardia lamblia	UPL-1	0.0106	0.1167	1
Toxoplasma gondii	Purine nucleoside phosphorylase	0.0106	0.1167	0.5
Toxoplasma gondii	phosphorylase family protein	0.0106	0.1167	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.035	0.035
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0106	0.1167	1
Plasmodium falciparum	purine nucleoside phosphorylase	0.0106	0.1167	0.5
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Brugia malayi	MTAP	0.0106	0.1167	0.1167
Schistosoma mansoni	uridine phosphorylase	0.075	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.035	0.035
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0106	0.1167	0.1167
Chlamydia trachomatis	AMP nucleosidase	0.0106	0.1167	0.5
Trypanosoma cruzi	methylthioadenosine phosphorylase, putative	0.0106	0.1167	1
Leishmania major	nucleoside phosphorylase-like protein	0.0106	0.1167	1
Trypanosoma brucei	uridine phosphorylase	0.0106	0.1167	1
Mycobacterium tuberculosis	Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase	0.0106	0.1167	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Onchocerca volvulus	Purine nucleoside phosphorylase homolog	0.0106	0.1167	0.5
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Treponema pallidum	pfs protein (pfs)	0.0106	0.1167	0.5
Giardia lamblia	Purine nucleoside phosphorylase lateral transfer candidate	0.0106	0.1167	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Mycobacterium leprae	probable uridine phosphorylase	0.075	1	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0106	0.1167	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Entamoeba histolytica	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Trichomonas vaginalis	conserved hypothetical protein	0.0106	0.1167	1
Loa Loa (eye worm)	S-methyl-5'-thioadenosine phosphorylase MTAP	0.0106	0.1167	0.1167
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.035	0.035
Toxoplasma gondii	phosphorylase family protein	0.0106	0.1167	0.5
Treponema pallidum	uridine phosphorylase (udp)	0.0106	0.1167	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0106	0.1167	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.035	0.035
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Mycobacterium ulcerans	purine nucleoside phosphorylase	0.0106	0.1167	1
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0106	0.1167	1
Echinococcus granulosus	methylthioadenosine phosphorylase	0.0106	0.1167	0.1167
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Echinococcus granulosus	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Echinococcus multilocularis	purine nucleoside phosphorylase	0.0106	0.1167	0.1167
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Trichomonas vaginalis	purine nucleoside phosphorylase, putative	0.0106	0.1167	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.035	0.035
Schistosoma mansoni	methylthioadenosine phosphorylase	0.0106	0.1167	0.1167
Trypanosoma cruzi	nucleoside phosphorylase, putative	0.0106	0.1167	1
Mycobacterium tuberculosis	Hypothetical protein	0.0106	0.1167	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 300 uM	Antagonistic activity against HOXA1-PBX1/DNA complex formation by electrophoretic mobility shift assay	ChEMBL.	15225688

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

PubChem: 11154943

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 321525