TDR Targets

Basic information

Technical information

TDR Targets ID: 840489
Name: 3-[[2-(2-methylphenoxy)acetyl]amino]-N-(4-met hylphenyl)-1-benzofuran-2-carboxamide
MW: 414.453 | Formula: C25H22N2O4
H donors: 2 H acceptors: 2 LogP: 5.65 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1c(oc2c1cccc2)C(=O)Nc1ccc(cc1)C)COc1ccccc1C
InChi: 1S/C25H22N2O4/c1-16-11-13-18(14-12-16)26-25(29)24-23(19-8-4-6-10-21(19)31-24)27-22(28)15-30-20-9-5-3-7-17(20)2/h3-14H,15H2,1-2H3,(H,26,29)(H,27,28)
InChiKey: JSKAPMZBGSRMQO-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-[[2-(2-methylphenoxy)acetyl]amino]-N-(4-methylphenyl)benzofuran-2-carboxamide
3-[[2-(2-methylphenoxy)-1-oxoethyl]amino]-N-(4-methylphenyl)-2-benzofurancarboxamide
3-[2-(2-methylphenoxy)ethanoylamino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide

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	serine/threonine protein kinase	0.0056	0.1606	0.2677
Trypanosoma brucei	protein kinase, putative	0.0056	0.1606	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0289	0.032
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0799	0.0903
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1203	0.5768
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.012	0.4212	0.371
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0653	0.0668
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.1606	0.1808
Brugia malayi	Pre-SET motif family protein	0.0033	0.0653	0.0739
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0799	0.0876
Plasmodium vivax	SET domain protein, putative	0.0033	0.0653	0.1469
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.1606	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0799	0.0876
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0289	0.3277
Echinococcus granulosus	GPCR family 2	0.0034	0.0701	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0074	0.2321	0.2634
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0398	0.0858
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.004	0.5
Mycobacterium ulcerans	lipase LipD	0.0036	0.0799	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0398	0.0858
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.1606	1
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.1606	0.3166
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0289	0.3277
Schistosoma mansoni	hypothetical protein	0.0034	0.0701	0.0136
Plasmodium vivax	dipeptidyl aminopeptidase 1, putative	0.012	0.4212	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1203	0.1371
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0229	0.8702	1
Trichomonas vaginalis	set domain proteins, putative	0.0261	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1203	0.1544
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0289	0.0326
Plasmodium falciparum	dipeptidyl aminopeptidase 1	0.012	0.4212	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0289	0.3277
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0289	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0289	0.0287
Toxoplasma gondii	ABC1 family protein	0.0036	0.0799	0.105
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0289	0.3277
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0799	0.0903
Schistosoma mansoni	hypothetical protein	0.0074	0.2321	0.4687
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0653	0.0495
Brugia malayi	MAP kinase sur-1	0.0056	0.1606	0.1835
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0289	0.0326
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0799	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.1606	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0799	1
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1606	0.0877
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1203	0.5977
Schistosoma mansoni	hypothetical protein	0.0034	0.0701	0.0136
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0108	0.3717	0.4265
Schistosoma mansoni	dipeptidyl-peptidase I (C01 family)	0.012	0.4212	1
Onchocerca volvulus		0.0036	0.0799	0.0525
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0799	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0701	0.0763
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0799	0.0903
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0701	0.0507
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0799	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.1606	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0799	0.0876
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1203	0.1544
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0799	0.0876
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1606	0.0877
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0799	0.0903
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0799	0.0409
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1606	0.0877
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0398	0.0413
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0108	0.3717	0.4265
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0799	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0701	0.0976
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0799	0.0876
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0799	0.0907
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0289	0.032
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0701	0.0763
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0398	0.0858
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0289	0.3277
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0289	0.3277
Schistosoma mansoni	hypothetical protein	0.0034	0.0701	0.0136
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1203	0.1342
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.004	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0108	0.3717	0.4246
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0799	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0799	0.1529
Onchocerca volvulus		0.0033	0.0653	0.0375
Brugia malayi	latrophilin 2 splice variant baaae	0.0074	0.2321	0.2659
Brugia malayi	hypothetical protein	0.0027	0.0398	0.0446
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0108	0.3717	0.4246
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0799	0.1948
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0799	0.0903
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0289	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.0289	0.5
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0701	0.0507
Plasmodium vivax	dipeptidyl aminopeptidase 2, putative	0.012	0.4212	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0799	0.0903
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1203	0.1544
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0799	0.0903
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0799	0.3317
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.8847	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0289	0.0287
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.1606	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0799	0.0903
Leishmania major	hypothetical protein, conserved	0.0027	0.0398	0.0831
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0799	0.3317
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.1606	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0799	0.1818
Schistosoma mansoni	hypothetical protein	0.0034	0.0701	0.0136
Brugia malayi	beta-lactamase	0.0036	0.0799	0.0907
Onchocerca volvulus		0.0036	0.0799	0.0525
Brugia malayi	beta-lactamase family protein	0.0036	0.0799	0.0907
Plasmodium falciparum	dipeptidyl aminopeptidase 2	0.012	0.4212	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.1606	1
Onchocerca volvulus		0.0036	0.0799	0.0525
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0289	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0799	0.0876
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.1606	0.0877
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0701	0.0794
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0701	0.0794
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0289	0.032
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0799	0.0903
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1203	0.5977
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.1606	1
Toxoplasma gondii	preprocathepsin c precursor, putative	0.012	0.4212	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0799	0.0876
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0701	0.0976
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0799	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0289	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0653	0.0708
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0799	0.0409
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0799	0.3317
Giardia lamblia	Dipeptidyl-peptidase I precursor	0.012	0.4212	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0799	0.0876
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.1606	1
Brugia malayi	Pre-SET motif family protein	0.0229	0.8702	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1203	0.5768
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.1606	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0799	0.3872
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.0289	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.0799	0.0907
Toxoplasma gondii	cathepsin CPC1	0.012	0.4212	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.1606	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0701	0.0507

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 840489