TDR Targets

Basic information

Technical information

TDR Targets ID: 626385
Name: 3-[[(E)-but-2-enoyl]amino]-N-(2,3-dihydro-1,4 -benzodioxin-7-yl)-1-benzofuran-2-carboxamide
MW: 378.378 | Formula: C21H18N2O5
H donors: 2 H acceptors: 2 LogP: 3.76 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C/C=C/C(=O)Nc1c(oc2c1cccc2)C(=O)Nc1ccc2c(c1)OCCO2
InChi: 1S/C21H18N2O5/c1-2-5-18(24)23-19-14-6-3-4-7-15(14)28-20(19)21(25)22-13-8-9-16-17(12-13)27-11-10-26-16/h2-9,12H,10-11H2,1H3,(H,22,25)(H,23,24)/b5-2+
InChiKey: DPNVFYDXXKQOTK-GORDUTHDSA-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-[[(E)-but-2-enoyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-7-yl)benzofuran-2-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-7-yl)-3-[[(E)-1-oxobut-2-enyl]amino]-2-benzofurancarboxamide
ZINC05107116

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	guanine nucleotide binding protein G(s) subunit	0.0045	0.1639	0.274
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0039	0.1411	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2525
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.4666	0.835
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2525
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.1411	0.429
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0587	0.0808
Mycobacterium leprae	Probable lipase LipE	0.0039	0.1411	0.5
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0079	0.3036	1
Trichomonas vaginalis	pantothenate kinase, putative	0.0075	0.288	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0039	0.1411	0.0875
Trichomonas vaginalis	pantothenate kinase, putative	0.0075	0.288	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1639	0.274
Brugia malayi	Smad1	0.0008	0.0148	0.0264
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1411	0.3592
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.1411	0.2393
Brugia malayi	MH2 domain containing protein	0.0008	0.0148	0.0264
Brugia malayi	MH2 domain containing protein	0.0008	0.0148	0.0264
Trichomonas vaginalis	pantothenate kinase, putative	0.0075	0.288	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.1411	0.2322
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.005	0.1847	0.5645
Mycobacterium ulcerans	esterase/lipase LipP	0.0039	0.1411	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0587	0.2539
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0148	0.0264
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1411	0.3592
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1847	0.5495
Plasmodium falciparum	pantothenate kinase 2, putative	0.0032	0.1111	0.2284
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0587	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.4666	0.835
Toxoplasma gondii	ABC1 family protein	0.0039	0.1411	0.3592
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1411	0.2322
Brugia malayi	beta-lactamase family protein	0.0039	0.1411	0.2525
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.005	0.1847	0.5495
Schistosoma mansoni	ap endonuclease	0.0019	0.0587	0.0808
Brugia malayi	MH2 domain containing protein	0.0119	0.4666	0.835
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2525
Mycobacterium tuberculosis	Conserved protein	0.0039	0.1411	0.0875
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.1514	0.4043
Echinococcus multilocularis	mitogen activated protein kinase 3	0.005	0.1847	0.3124
Trypanosoma brucei	protein kinase, putative	0.005	0.1847	0.5986
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0307	0.0549
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.1411	0.3592
Echinococcus granulosus	pantothenate kinase 4	0.0075	0.288	0.5177
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.1411	0.2525
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.005	0.1847	0.5645
Brugia malayi	MH1 domain containing protein	0.0008	0.0148	0.0264
Leishmania major	hypothetical protein, conserved	0.0039	0.1411	0.4046
Onchocerca volvulus	Huntingtin homolog	0.0126	0.4969	1
Toxoplasma gondii	fumble protein	0.0075	0.288	1
Brugia malayi	beta-lactamase family protein	0.0039	0.1411	0.2525
Mycobacterium ulcerans	hypothetical protein	0.0039	0.1411	1
Brugia malayi	MH1 domain containing protein	0.0008	0.0148	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2525
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.1411	0.2525
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0166	0.0297
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1847	0.5495
Mycobacterium tuberculosis	Conserved protein	0.0039	0.1411	0.0875
Mycobacterium tuberculosis	Probable lipase LipD	0.0039	0.1411	0.0875
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0307	0.0549
Mycobacterium tuberculosis	Conserved protein	0.0039	0.1411	0.0875
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0307	0.0549
Schistosoma mansoni	ap endonuclease	0.0019	0.0587	0.0808
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.1514	0.4043
Echinococcus granulosus	mitogen activated protein kinase 3	0.005	0.1847	0.322
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2525
Trypanosoma brucei	pantothenate kinase subunit, putative	0.0075	0.288	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0039	0.1411	0.0875
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.1847	0.5645
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.1411	0.2322
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0019	0.0587	0.1027
Leishmania major	pantothenate kinase subunit, putative	0.0079	0.3036	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0039	0.1411	0.0875
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0148	0.0264
Brugia malayi	MAP kinase sur-1	0.005	0.1847	0.3306
Trichomonas vaginalis	pantothenate kinase, putative	0.0075	0.288	1
Toxoplasma gondii	pantothenate kinase	0.0032	0.1111	0.2284
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1411	0.4046
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0587	0.0833
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.1111	0.2284
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.1514	0.2589
Mycobacterium tuberculosis	Probable hydrolase	0.0039	0.1411	0.0875
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1411	0.3592
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.1411	0.5
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.005	0.1847	0.3306
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1411	0.2525
Entamoeba histolytica	pantothenate kinase 1, putative	0.0075	0.288	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0039	0.1411	0.0875
Brugia malayi	beta-lactamase	0.0039	0.1411	0.2525
Loa Loa (eye worm)	Smad1	0.0008	0.0148	0.0264
Schistosoma mansoni	pantothenate kinase	0.0075	0.288	0.5023
Giardia lamblia	Kinase, CMGC MAPK	0.005	0.1847	0.5495
Schistosoma mansoni	pantothenate kinase	0.0075	0.288	0.5023
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1847	0.5495
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.1514	0.4043
Brugia malayi	acetyltransferase, GNAT family protein	0.0142	0.5588	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1639	0.2932
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.005	0.1847	0.5645
Loa Loa (eye worm)	pantothenate kinase	0.0075	0.288	0.5154
Trichomonas vaginalis	pantothenate kinase, putative	0.0075	0.288	1
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.005	0.1847	0.5986
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.1514	0.4043
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1587	0.4357
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1639	0.274
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1639	0.274
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1639	0.2824
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.1514	0.4043
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0587	0.1051
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0307	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0126	0.4969	0.8892
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0587	0.5
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0587	0.1089
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.1373	0.3426
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0587	0.1051
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0039	0.1411	0.0875
Onchocerca volvulus	Fumble homolog	0.0075	0.288	0.4129
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.005	0.1847	0.5645
Brugia malayi	pantothenate kinase family protein	0.0075	0.288	0.5154
Giardia lamblia	Pantothenate kinase 4	0.0075	0.288	1
Onchocerca volvulus	Huntingtin homolog	0.0126	0.4969	1
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0307	0.0549
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.005	0.1847	0.5645
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.1411	0.3592
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0019	0.0587	0.1027
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.1411	0.3592
Trypanosoma cruzi	pantothenate kinase subunit, putative	0.0075	0.288	0.943
Schistosoma mansoni	serine/threonine protein kinase	0.005	0.1847	0.3124
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	0.5588	1
Plasmodium falciparum	pantothenate kinase 1, putative	0.0075	0.288	1
Mycobacterium ulcerans	beta-lactamase	0.0039	0.1411	1
Echinococcus multilocularis	mitogen activated protein kinase	0.005	0.1847	0.3124
Echinococcus multilocularis	pantothenate kinase 4	0.0075	0.288	0.5023
Loa Loa (eye worm)	beta-lactamase	0.0039	0.1411	0.2525
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1639	0.274
Mycobacterium ulcerans	lipase LipD	0.0039	0.1411	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1639	0.2824
Trichomonas vaginalis	esterase, putative	0.0039	0.1411	0.3592
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.5427	1
Trichomonas vaginalis	CMGC family protein kinase	0.005	0.1847	0.5495
Echinococcus granulosus	mitogen activated protein kinase	0.005	0.1847	0.322
Plasmodium vivax	pantothenate kinase, putative	0.0075	0.288	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.1411	0.4046
Brugia malayi	hypothetical protein	0.0126	0.4969	0.8892
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.1373	0.3426
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0019	0.0587	0.1027
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.1373	0.3426
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	0.5588	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1639	0.2932
Loa Loa (eye worm)	hypothetical protein	0.0126	0.4969	0.8892
Loa Loa (eye worm)	acetyltransferase	0.0142	0.5588	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 626385