TDR Targets

Basic information

Technical information

TDR Targets ID: 620961
Name: [3-(3,4-dimethoxyphenyl)-2-oxochromen-7-yl] N ,N-diethylcarbamate
MW: 397.421 | Formula: C22H23NO6
H donors: 0 H acceptors: 2 LogP: 3.98 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)Oc1ccc2c(c1)oc(=O)c(c2)c1ccc(c(c1)OC)OC)CC
InChi: 1S/C22H23NO6/c1-5-23(6-2)22(25)28-16-9-7-15-11-17(21(24)29-19(15)13-16)14-8-10-18(26-3)20(12-14)27-4/h7-13H,5-6H2,1-4H3
InChiKey: SMBLPCMLFVLZOG-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-(3,4-dimethoxyphenyl)-2-oxo-chromen-7-yl] N,N-diethylcarbamate
N,N-diethylcarbamic acid [3-(3,4-dimethoxyphenyl)-2-oxo-7-chromenyl] ester
N,N-diethylcarbamic acid [3-(3,4-dimethoxyphenyl)-2-keto-chromen-7-yl] ester
ZINC04340243

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
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0193	0.6972	0.8837
Mycobacterium tuberculosis	Probable oxidoreductase	0.0215	0.7815	1
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0029	0.0561	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0587	0.5047
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0714	0.0707
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0059	0.1737	0.6326
Trypanosoma brucei	trypanothione reductase	0.0085	0.2727	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0241	0.0883
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.1163	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0714	0.6145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0805	0.6922
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0806	0.2957
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.0101	0.0249
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0029	0.0561	0.2059
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.1163	0.4234
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.4061	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0714	0.6145
Giardia lamblia	GTOR	0.0045	0.1163	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.1163	0.4264
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Plasmodium falciparum	thioredoxin reductase	0.0085	0.2727	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0029	0.0561	0.5
Schistosoma mansoni	hypothetical protein	0.0021	0.0217	0.0217
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0714	0.6145
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0561	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.1163	0.4264
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.1163	1
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0022	0.0257	0.0632
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0077	0.0077
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0907	0.78
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0561	0.2059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0805	0.6922
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0029	0.0561	0.2059
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0085	0.2746	1
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0017	0.0077	0.0281
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0358	0.3078
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.1163	0.4264
Leishmania major	hypothetical protein, conserved	0.0015	0.0009	0.0033
Plasmodium vivax	thioredoxin reductase, putative	0.0085	0.2727	1
Trypanosoma brucei	ISWI complex protein	0.0015	0.0009	0.0033
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0193	0.6972	0.8837
Trypanosoma cruzi	trypanothione reductase, putative	0.0029	0.0561	0.2059
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0077	0.0077
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0448	0.3855
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0029	0.0561	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0077	0.019
Brugia malayi	PHD-finger family protein	0.0025	0.0383	0.0943
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.1163	0.4264
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0029	0.0561	0.5
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0022	0.0291	0.0291
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.1163	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.1163	0.4264
Echinococcus granulosus	histone lysine methyltransferase setb	0.0017	0.0077	0.0281
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0561	0.5
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0907	0.2234
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Trypanosoma cruzi	trypanothione reductase, putative	0.0085	0.2727	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0029	0.0561	0.2044
Plasmodium vivax	glutathione reductase, putative	0.0085	0.2727	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0358	0.3078
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.1163	1
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0009	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1074	0.2644
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0193	0.6972	0.8837
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0019	0.014	0.0513
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.1163	0.1163
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0561	0.2059
Loa Loa (eye worm)	hypothetical protein	0.007	0.2167	0.5335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0714	0.6145
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0022	0.0257	0.0632
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0085	0.2727	0.2985
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0806	0.2957
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0029	0.0561	0.2059
Plasmodium falciparum	glutathione reductase	0.0085	0.2727	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0549	0.4722
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0805	0.6922
Loa Loa (eye worm)	glutathione reductase	0.0085	0.2727	0.6714
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0017	0.0077	0.0077
Trichomonas vaginalis	mercuric reductase, putative	0.0029	0.0561	0.4829
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0357	0.3066
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0448	0.3855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0714	0.6145
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.1163	0.4234
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0217	0.0533
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0059	0.1737	0.6326
Treponema pallidum	NADH oxidase	0.0029	0.0561	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0714	0.6145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0357	0.3066
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0714	0.6145
Toxoplasma gondii	thioredoxin reductase	0.0085	0.2727	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0193	0.6972	0.8837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0357	0.3066
Mycobacterium tuberculosis	Probable reductase	0.0193	0.6972	0.8837
Echinococcus granulosus	fetal alzheimer antigen falz	0.0022	0.0291	0.1059
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.1163	0.4264
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0358	0.3078
Brugia malayi	MH2 domain containing protein	0.0119	0.4061	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0999	0.246
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.1163	0.2863
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0805	0.6922
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0017	0.0077	0.0077
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0561	0.1383
Schistosoma mansoni	bromodomain containing protein	0.0063	0.1877	0.1877
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0561	0.2044
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0215	0.7815	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0358	0.3078
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0561	0.2059
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0029	0.0561	0.2059
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0215	0.7815	1
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0022	0.0291	0.1059
Brugia malayi	Bromodomain containing protein	0.0038	0.0904	0.2227
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0017	0.0077	0.0281
Echinococcus granulosus	zinc finger protein	0.0019	0.0175	0.0639
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0806	0.2957
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Echinococcus multilocularis	zinc finger protein	0.0019	0.0175	0.0639
Loa Loa (eye worm)	thioredoxin reductase	0.0085	0.2727	0.6714
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0193	0.6972	0.8837
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0561	0.2059
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.1163	0.5
Brugia malayi	Thioredoxin reductase	0.0085	0.2727	0.6714
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0459	0.3945
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0812	0.2957
Trypanosoma cruzi	ISWI complex protein	0.0015	0.0009	0.0033
Schistosoma mansoni	zinc finger protein	0.0019	0.0175	0.0175
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0812	0.2957
Echinococcus granulosus	thioredoxin glutathione reductase	0.0085	0.2746	1
Brugia malayi	Bromodomain containing protein	0.0075	0.2333	0.5745
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0459	0.3945
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.4061	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.1163	0.2863
Brugia malayi	glutathione reductase	0.0085	0.2727	0.6714
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Schistosoma mansoni	hypothetical protein	0.0015	0.0009	0.0009
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0215	0.7815	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0805	0.6922
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0561	0.2059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0459	0.3945
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0029	0.0561	0.0561
Schistosoma mansoni	zinc finger protein	0.0015	0.0009	0.0009
Trichomonas vaginalis	glutathione reductase, putative	0.0029	0.0561	0.4829
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0017	0.0077	0.0281
Leishmania major	trypanothione reductase	0.0085	0.2727	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 620961