TDR Targets

Basic information

Technical information

TDR Targets ID: 867811
Name: N-(2,2-dimethoxyethyl)-1,7,7-trimethylpyrano[ 5,6-e][1]benzoxole-2-carboxamide
MW: 345.39 | Formula: C19H23NO5
H donors: 1 H acceptors: 1 LogP: 3.09 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COC(CNC(=O)c1oc2c(c1C)c1C=CC(Oc1cc2)(C)C)OC
InChi: 1S/C19H23NO5/c1-11-16-12-8-9-19(2,3)25-13(12)6-7-14(16)24-17(11)18(21)20-10-15(22-4)23-5/h6-9,15H,10H2,1-5H3,(H,20,21)
InChiKey: YCLFGWDTWHTSKY-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

N-(2,2-dimethoxyethyl)-1,7,7-trimethyl-pyrano[5,6-e]benzofuran-2-carboxamide
N-(2,2-dimethoxyethyl)-1,7,7-trimethyl-2-pyrano[5,6-e]benzofurancarboxamide
N-(2,2-dimethoxyethyl)-1,7,7-trimethyl-pyrano[5,6-e][1]benzoxole-2-carboxamide
ChemDiv3_011682
IDI1_029240

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	0.0031	0.0245	0.5634
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	abcb9, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	abcb9, putative	0.0031	0.0249	0.5725
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0434	1
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0449	0.5077	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0031	0.0249	0.5725
Entamoeba histolytica	P-glycoprotein-1	0.0031	0.0249	0.0249
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0047	0.0434	1
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0047	0.0434	1
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.001	0	0.5
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0031	0.0249	0.5725
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.001	0	0.5
Trichomonas vaginalis	hypothetical protein	0.0047	0.0434	1
Entamoeba histolytica	hypothetical protein	0.0047	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0249	0.5725
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0249	0.5725
Echinococcus granulosus	sphingomyelin synthase protein 1	0.0047	0.0434	1
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0449	0.5077	1
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.001	0	0.5
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.001	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0434	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0249	0.5725
Brugia malayi	Sphingomyelin synthase-related 1	0.0047	0.0434	1
Brugia malayi	multidrug resistance protein 3	0.0031	0.0249	0.5725
Entamoeba histolytica	hypothetical protein	0.0047	0.0434	0.0434
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 3	0.0047	0.0434	1
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0031	0.0249	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0249	0.5725
Entamoeba histolytica	P-glycoprotein 5, putative	0.0031	0.0249	0.0249
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Trypanosoma brucei	inositol phosphorylceramide synthase	0.0047	0.0434	0.0856
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0249	0.5725
Plasmodium falciparum	sphingomyelin synthase 2, putative	0.0047	0.0434	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0031	0.0249	0.5725
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0434	1
Plasmodium vivax	sphingomyelin synthase 1, putative	0.0047	0.0434	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0031	0.0249	0.5725
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0031	0.0249	0.5725
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0031	0.0249	0.5
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0249	0.5725
Toxoplasma gondii	hypothetical protein	0.0047	0.0434	1
Entamoeba histolytica	P-glycoprotein-5	0.0031	0.0249	0.0249
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0047	0.0434	1
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0139	0.3209
Leishmania major	phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0449	0.5077	1
Plasmodium falciparum	multidrug resistance protein 1	0.0031	0.0249	0.5725
Schistosoma mansoni	multidrug resistance protein	0.0031	0.0249	0.5725
Trichomonas vaginalis	taga, putative	0.0031	0.0249	0.5725
Schistosoma mansoni	multidrug resistance protein	0.0031	0.0249	0.5725
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.001	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0	0.5
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0047	0.0434	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0022	0.0139	0.3209
Echinococcus multilocularis	multidrug resistance protein 1	0.0022	0.0139	0.3209
Leishmania major	p-glycoprotein	0.0031	0.0249	0.049
Trichomonas vaginalis	abcb9, putative	0.0031	0.0249	0.5725
Trypanosoma brucei	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0449	0.5077	1
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0249	0.5725
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0	0.5
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0047	0.0434	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0249	0.5725
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0249	0.5725
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0434	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0249	0.5725
Entamoeba histolytica	hypothetical protein	0.0047	0.0434	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0434	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0031	0.0245	0.5634
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0249	0.5725
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0434	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0031	0.0249	0.5725
Entamoeba histolytica	P-glycoprotein-2	0.0031	0.0249	0.0249
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0249	0.5725
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0047	0.0434	1
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	sphingomyelin synthetase, putative	0.0047	0.0434	1
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0434	1
Brugia malayi	ABC transporter family protein	0.0031	0.0249	0.5725
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0031	0.0249	0.049
Trichomonas vaginalis	ABC transporter, putative	0.0031	0.0249	0.5725
Entamoeba histolytica	P-glyco protein 6, putative	0.0031	0.0249	0.0249
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0249	0.5725
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0249	0.5725
Echinococcus multilocularis	ATP binding cassette sub family B	0.0031	0.0245	0.5634
Trypanosoma cruzi	sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional	0.0449	0.5077	1
Echinococcus granulosus	multidrug resistance protein 1	0.0022	0.0139	0.3209
Schistosoma mansoni	smdr2	0.0031	0.0249	0.5725
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0249	0.5725
Giardia lamblia	Multidrug resistance-associated protein 1	0.001	0	0.5
Schistosoma mansoni	spingomyelin synthetase-related	0.0047	0.0434	1
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 2	0.0047	0.0434	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0031	0.0249	0.0249
Giardia lamblia	ABC transporter, putative	0.001	0	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0249	0.5725
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0249	0.5725
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0249	0.5725
Trypanosoma brucei	ceramide phosphorylethanolamine synthase	0.0047	0.0434	0.0856
Brugia malayi	Phosphatidylcholine:ceramide cholinephosphotransferase 1	0.0047	0.0434	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Echinococcus granulosus	multidrug resistance protein 1	0.0031	0.0249	0.5725
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0249	0.5725
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0031	0.0249	0.5725
Onchocerca volvulus		0.0031	0.0249	0.5
Giardia lamblia	Multidrug resistance-associated protein 1	0.001	0	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0031	0.0249	0.5725
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.001	0	0.5
Echinococcus multilocularis	sphingomyelin synthase protein 1	0.0047	0.0434	1
Entamoeba histolytica	P-glycoprotein-2	0.0031	0.0249	0.0249
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0	0.5
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0031	0.0249	0.5725
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0031	0.0249	0.5725
Entamoeba histolytica	hypothetical protein	0.0047	0.0434	0.0434
Schistosoma mansoni	multidrug resistance protein	0.0031	0.0249	0.5725
Plasmodium falciparum	sphingomyelin synthase 1, putative	0.0047	0.0434	1
Entamoeba histolytica	hypothetical protein	0.0047	0.0434	0.0434
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0249	0.5725
Plasmodium vivax	sphingomyelin synthase 2, putative	0.0047	0.0434	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0031	0.0249	0.5725
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0031	0.0249	0.5725
Entamoeba histolytica	hypothetical membrane-spanning protein	0.0047	0.0434	0.0434
Giardia lamblia	MRP-like ABC transporter	0.001	0	0.5
Echinococcus multilocularis	multidrug resistance protein 1	0.0031	0.0249	0.5725

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 867811