TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.373 | Formula: C19H21NO6
H donors: 1 H acceptors: 2 LogP: 3.44 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cc(OC)c(cc1NC(=O)c1ccc(cc1)OC)OC
InChi: 1S/C19H21NO6/c1-5-26-19(22)14-10-16(24-3)17(25-4)11-15(14)20-18(21)12-6-8-13(23-2)9-7-12/h6-11H,5H2,1-4H3,(H,20,21)
InChiKey: VMZPFBUFAFZSKJ-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

No synonyms found for this compound

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
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0579	0.1527
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0049	0.3789	1
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0579	0.1527
Trichomonas vaginalis	alpha-amylase, putative	0.011	1	1
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.0049	0.3789	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0579	0.0579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Brugia malayi	Papain family cysteine protease containing protein	0.0017	0.0579	0.1527
Trichomonas vaginalis	conserved hypothetical protein	0.0012	0.005	0.005
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0017	0.0579	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0579	0.1527
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0579	0.1527
Schistosoma mansoni	starch branching enzyme II	0.0049	0.3789	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0017	0.0579	0.1527
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0579	0.1413
Mycobacterium ulcerans	glycogen branching protein	0.0049	0.3789	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Onchocerca volvulus		0.0017	0.0579	1
Entamoeba histolytica	alpha-amylase family protein	0.0012	0.005	0.005
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.0049	0.3789	1
Echinococcus multilocularis	cysteine protease	0.0017	0.0579	0.1413
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Plasmodium vivax	vivapain-2	0.0017	0.0579	0.5
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0579	0.1527
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.5497	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.0049	0.3789	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Echinococcus granulosus	cathepsin l1	0.0017	0.0579	0.1527
Mycobacterium leprae	Putative uncharacterized protein ML2045	0.0012	0.005	0.5
Trichomonas vaginalis	alpha-amylase, putative	0.011	1	1
Leishmania major	cathepsin L-like protease	0.0066	0.5497	1
Entamoeba histolytica	cysteine proteinase, putative	0.0017	0.0579	0.0579
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.0049	0.3789	1
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0049	0.3789	1
Schistosoma mansoni	alpha-amylase	0.0012	0.005	0.0133
Schistosoma mansoni	alpha-amylase	0.0012	0.005	0.0133
Onchocerca volvulus		0.0017	0.0579	1
Schistosoma mansoni	hypothetical protein	0.0012	0.005	0.0133
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Schistosoma mansoni	alpha-amylase	0.0012	0.005	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0049	0.3789	1
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0049	0.3789	0.3789
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0017	0.0579	0.1413
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0012	0.005	0.0133
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Entamoeba histolytica	alpha-amylase family protein	0.0012	0.005	0.005
Entamoeba histolytica	cysteine protease, putative	0.0017	0.0579	0.0579
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Onchocerca volvulus		0.0017	0.0579	1
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0579	1
Leishmania major	cathepsin L-like protease	0.0066	0.5497	1
Trichomonas vaginalis	alpha-amylase, putative	0.011	1	1
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Entamoeba histolytica	alpha-amylase, putative	0.0012	0.005	0.005
Echinococcus multilocularis	cysteine protease	0.0017	0.0579	0.1413
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Entamoeba histolytica	alpha-amylase, putative	0.0012	0.005	0.005
Onchocerca volvulus		0.0017	0.0579	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Giardia lamblia	1,4-alpha-glucan branching enzyme	0.0049	0.3789	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	amylase, putative	0.011	1	1
Entamoeba histolytica	oligo-1,6-glucosidase, putative	0.0012	0.005	0.005
Trichomonas vaginalis	amylase, putative	0.011	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0579	0.1527
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.5497	1
Loa Loa (eye worm)	ctsf protein	0.0017	0.0579	0.1527
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Loa Loa (eye worm)	alpha amylase	0.0012	0.005	0.0133
Plasmodium vivax	vivapain-2	0.0017	0.0579	0.5
Mycobacterium tuberculosis	1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme)	0.0049	0.3789	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Onchocerca volvulus	Cathepsin F homolog	0.0017	0.0579	1
Trichomonas vaginalis	alpha-amylase, putative	0.0098	0.8778	0.8778
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Onchocerca volvulus		0.0017	0.0579	1
Leishmania major	cathepsin L-like protease	0.0066	0.5497	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Loa Loa (eye worm)	cysteine protease	0.0017	0.0579	0.1527
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Entamoeba histolytica	alpha-amylase family protein	0.011	1	1
Toxoplasma gondii	glycosyltransferase	0.0049	0.3789	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0017	0.0579	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Echinococcus granulosus	alpha glucosidase	0.0012	0.005	0.0133
Schistosoma mansoni	alpha-amylase	0.0012	0.005	0.0133
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Entamoeba histolytica	beta/alpha-amylase precursor, putative	0.0012	0.005	0.005
Trypanosoma cruzi	major cysteine proteinase, putative	0.0051	0.407	0.7098
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Toxoplasma gondii	cathepsin CPL	0.0017	0.0579	0.1413
Trichomonas vaginalis	starch branching enzyme II, putative	0.0049	0.3789	0.3789
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Schistosoma mansoni	cathepsin F (C01 family)	0.0017	0.0579	0.1527
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0012	0.005	0.0133
Trichomonas vaginalis	alpha-amylase, putative	0.011	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	amylase, putative	0.0012	0.005	0.005
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0579	0.1413
Trypanosoma cruzi	cysteine peptidase, putative	0.0066	0.5497	1
Onchocerca volvulus		0.0017	0.0579	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0017	0.0579	0.0579
Trypanosoma cruzi	cruzipain precursor, putative	0.0066	0.5497	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0017	0.0579	0.1527
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0579	0.1527
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Loa Loa (eye worm)	fibroinase	0.0017	0.0579	0.1527
Echinococcus granulosus	trehalose 6 phosphate hydrolase	0.0012	0.005	0.0133
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0017	0.0579	0.1527
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0049	0.3789	0.3789
Schistosoma mansoni	alpha-amylase	0.0012	0.005	0.0133
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Loa Loa (eye worm)	alpha amylase	0.0012	0.005	0.0133
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0579	0.1527
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0579	0.1527
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.006	0.4918	0.8824
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0066	0.5497	0.5
Entamoeba histolytica	hypothetical protein	0.0012	0.005	0.005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0017	0.0579	0.0579
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0017	0.0579	0.0579
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0017	0.0579	0.5
Trichomonas vaginalis	alpha-amylase, putative	0.0012	0.005	0.005
Onchocerca volvulus		0.0017	0.0579	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0017	0.0579	0.1413
Trichomonas vaginalis	amylase, putative	0.0049	0.3789	0.3789
Onchocerca volvulus	Cathepsin L homolog	0.0017	0.0579	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	< 2 M	Evaluated for inhibition of proliferation of human coronary artery endothelial cells (ECs), induced by 5 % FBS.	ChEMBL.	11229768
IC50 (functional)	= 0.61 uM	Inhibition of human coronary artery smooth muscle cells (SMC's) proliferation, induced by platelet-derived growth factor (PDGF-BB) 20 ng mL.	ChEMBL.	11229768

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

No external resources registered for this compound

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 262025