TDR Targets

Basic information

Technical information

TDR Targets ID: 320978
Name: 4-[2-(cyclopropylamino)-2-oxoethoxy]-N-(3-flu orophenyl)naphthalene-1-carboxamide
MW: 378.396 | Formula: C22H19FN2O3
H donors: 2 H acceptors: 2 LogP: 3.98 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(NC1CC1)COc1ccc(c2c1cccc2)C(=O)Nc1cccc(c1)F
InChi: 1S/C22H19FN2O3/c23-14-4-3-5-16(12-14)25-22(27)19-10-11-20(18-7-2-1-6-17(18)19)28-13-21(26)24-15-8-9-15/h1-7,10-12,15H,8-9,13H2,(H,24,26)(H,25,27)
InChiKey: IEGRCWIWUCTFNV-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-(cyclopropylamino)-2-oxo-ethoxy]-N-(3-fluorophenyl)naphthalene-1-carboxamide
4-[2-(cyclopropylamino)-2-oxoethoxy]-N-(3-fluorophenyl)-1-naphthalenecarboxamide
4-[2-(cyclopropylamino)-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 granulosus	solute carrier family 22	0.004	0.0015	0.0015
Brugia malayi	Major Facilitator Superfamily protein	0.004	0.0015	0.1005
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Schistosoma mansoni	glucose transport protein	0.004	0.0015	0.1428
Trichomonas vaginalis	glucose transporter, putative	0.004	0.0015	0.5
Plasmodium falciparum	hexose transporter	0.004	0.0015	0.3092
Trichomonas vaginalis	myo-inositol transporter, putative	0.004	0.0015	0.5
Giardia lamblia	Sugar-proton symporter	0.004	0.0015	1
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.004	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0039	0.0014	0.1976
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.004	0.0015	0.3092
Plasmodium vivax	sugar transporter, putative	0.004	0.0015	0.3092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0048	1
Brugia malayi	major facilitator superfamily protein	0.004	0.0015	0.1005
Onchocerca volvulus		0.004	0.0015	1
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.004	0.0015	0.0015
Echinococcus granulosus	synaptic vesicle 2 protein	0.004	0.0015	0.0015
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0048	0.6948
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0014	0.1313
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.004	0.0015	0.0015
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.004	0.0015	0.0015
Plasmodium vivax	hexose transporter	0.004	0.0015	0.3092
Onchocerca volvulus		0.004	0.0015	1
Echinococcus multilocularis	jumonji domain containing protein	0.0045	0.0025	0.0025
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.004	0.0015	0.0015
Brugia malayi	Sugar transporter family protein	0.004	0.0015	0.1005
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	sugar transporter	0.004	0.0015	0.2148
Schistosoma mansoni	sugar transporter	0.004	0.0015	0.1428
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0056	0.0048	1
Toxoplasma gondii	transporter, major facilitator family protein	0.004	0.0015	0.3092
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Brugia malayi	hypothetical protein	0.0056	0.0048	0.3252
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Echinococcus multilocularis	solute carrier family 22	0.004	0.0015	0.0015
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.004	0.0015	0.0015
Echinococcus granulosus	lysine specific demethylase 5A	0.0039	0.0014	0.0014
Brugia malayi	Major Facilitator Superfamily protein	0.004	0.0015	0.1005
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5
Echinococcus granulosus	solute carrier family 22	0.004	0.0015	0.0015
Echinococcus granulosus	jumonji domain containing protein	0.0045	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.004	0.0016	0.0236
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Brugia malayi	hypothetical protein	0.004	0.0015	0.1005
Toxoplasma gondii	sugar transporter ST3	0.004	0.0015	0.3092
Onchocerca volvulus		0.004	0.0015	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0056	0.0048	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.004	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0048	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.1417	0.2776	0.2766
Schistosoma mansoni	glucose transporter	0.004	0.0015	0.1428
Onchocerca volvulus		0.004	0.0015	1
Echinococcus multilocularis	solute carrier family 22	0.004	0.0015	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5
Schistosoma mansoni	jumonji domain containing protein	0.0084	0.0103	1
Echinococcus multilocularis	solute carrier family 22	0.004	0.0015	0.0015
Onchocerca volvulus		0.004	0.0015	1
Trichomonas vaginalis	sugar transport protein, putative	0.004	0.0015	0.5
Leishmania major	hypothetical protein, conserved	0.0056	0.0048	1
Brugia malayi	Major Facilitator Superfamily protein	0.004	0.0015	0.1005
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Brugia malayi	hypothetical protein	0.0036	0.0008	0.0542
Brugia malayi	hypothetical protein	0.004	0.0015	0.1005
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5
Brugia malayi	Sugar transporter family protein	0.004	0.0015	0.1005
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Brugia malayi	jmjC domain containing protein	0.0105	0.0147	1
Echinococcus granulosus	Sugar transporter ERD6 protein	0.004	0.0015	0.0015
Brugia malayi	jmjC domain containing protein	0.0039	0.0014	0.0925
Schistosoma mansoni	hypothetical protein	0.004	0.0015	0.1428
Trypanosoma cruzi	PAB1-binding protein , putative	0.0056	0.0048	1
Toxoplasma gondii	sugar transporter ST2	0.004	0.0015	0.3092
Loa Loa (eye worm)	jmjC domain-containing protein	0.0066	0.0069	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Brugia malayi	hypothetical protein	0.004	0.0015	0.1005
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5
Schistosoma mansoni	glucose transport protein	0.004	0.0015	0.1428
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.004	0.0015	0.0015
Brugia malayi	Sugar transporter family protein	0.004	0.0015	0.1005
Echinococcus granulosus	solute carrier family 22	0.004	0.0015	0.0015
Echinococcus multilocularis	sodium channel protein	0.004	0.0016	0.0016
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.004	0.0015	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Onchocerca volvulus	Putative transporter	0.004	0.0015	1
Giardia lamblia	Hexose transporter	0.004	0.0015	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.502	1	1
Onchocerca volvulus		0.004	0.0015	1
Onchocerca volvulus		0.004	0.0015	1
Brugia malayi	major facilitator superfamily protein	0.004	0.0015	0.1005
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	sugar transporter	0.004	0.0015	0.2148
Schistosoma mansoni	sugar transporter	0.004	0.0015	0.1428
Echinococcus granulosus	sodium channel protein	0.004	0.0016	0.0016
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0105	0.0147	0.0147
Schistosoma mansoni	sugar transporter	0.004	0.0015	0.1428
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Toxoplasma gondii	sugar transporter ST1	0.004	0.0015	0.3092
Plasmodium falciparum	ataxin-2 like protein, putative	0.0056	0.0048	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.004	0.0015	0.3092
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Echinococcus multilocularis	synaptic vesicle 2 protein	0.004	0.0015	0.0015
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Schistosoma mansoni	sugar transporter	0.004	0.0015	0.1428
Echinococcus multilocularis	thymidine phosphorylase	0.502	1	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.1417	0.2776	0.2766
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0105	0.0147	0.0147
Trichomonas vaginalis	glucose transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Onchocerca volvulus		0.004	0.0015	1
Echinococcus multilocularis	solute carrier family 22	0.004	0.0015	0.0015
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.004	0.0015	0.0015
Mycobacterium ulcerans	thymidine phosphorylase	0.502	1	1
Onchocerca volvulus		0.004	0.0015	1
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.004	0.0015	0.1428
Echinococcus granulosus	solute carrier family 22	0.004	0.0015	0.0015
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.004	0.0015	0.2148
Trichomonas vaginalis	glucose transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.1417	0.2776	0.5
Echinococcus multilocularis	lysine specific demethylase 5A	0.0039	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0015	0.2148
Toxoplasma gondii	LsmAD domain-containing protein	0.0056	0.0048	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0046	0.6709
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0039	0.0014	0.1313
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.004	0.0015	0.0015
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.004	0.0015	0.2148
Trichomonas vaginalis	sugar transporter, putative	0.004	0.0015	0.5
Schistosoma mansoni	glucose transport protein	0.004	0.0015	0.1428
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0015	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 173 uM	Antagonistic activity against HOXA1-PBX1/DNA complex formation by electrophoretic mobility shift assay	ChEMBL.	15225688
IC50 (functional)	= 810 uM	Antagonistic activity against BRN1/DNA interaction by electrophoretic mobility shift assay	ChEMBL.	15225688
IC50 (functional)	= 810 uM	Antagonistic activity against BRN1/DNA interaction by electrophoretic mobility shift assay	ChEMBL.	15225688
IC50 (functional)	> 10000 uM	Antagonistic activity against BRN2/DNA interaction by electrophoretic mobility shift assay	ChEMBL.	15225688
IC50 (functional)	> 10000 uM	Antagonistic activity against BRN2/DNA interaction 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

ChEMBL: CHEMBL182776
PubChem: 11326409

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 320978