TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 361.346 | Formula: C18H19NO7
H donors: 2 H acceptors: 3 LogP: 2.72 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)C(=O)Nc1cc(OC)c(cc1C(=O)O)OC
InChi: 1S/C18H19NO7/c1-23-13-6-5-10(7-14(13)24-2)17(20)19-12-9-16(26-4)15(25-3)8-11(12)18(21)22/h5-9H,1-4H3,(H,19,20)(H,21,22)
InChiKey: WXSLBSWYLHIVEM-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
Mycobacterium ulcerans	hypothetical protein	0.0061	0.1985	1
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0608	0.1306
Mycobacterium tuberculosis	Conserved protein	0.0061	0.1985	0.1851
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0843	0.3724
Loa Loa (eye worm)	matrix metalloproteinase	0.0039	0.0969	0.237
Brugia malayi	Thioredoxin family protein	0.0061	0.1985	0.5364
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0843	0.3724
Echinococcus multilocularis	musashi	0.0031	0.0608	0.0789
Schistosoma mansoni	lamin	0.0031	0.0608	0.3065
Giardia lamblia	Transglutaminase/protease, putative	0.0061	0.1985	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0843	0.3724
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0608	0.1306
Mycobacterium ulcerans	transglutaminase family protein	0.0061	0.1985	1
Echinococcus granulosus	lamin	0.0031	0.0608	0.0789
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0039	0.0969	0.4883
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0843	0.0689
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0843	0.0689
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0843	0.1997
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0843	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0582	0.1227
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1628	0.2605
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0057	0.1812	0.9128
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0165	0.5
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0608	0.3065
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0087	0.3193	1
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0048	0.1367	0.1222
Leishmania major	hypothetical protein, conserved	0.0036	0.0843	1
Brugia malayi	intermediate filament protein	0.0031	0.0608	0.1306
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0843	0.3724
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0843	0.1997
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1628	0.8202
Brugia malayi	Matrixin family protein	0.0094	0.3558	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0843	0.1997
Echinococcus multilocularis	lamin	0.0031	0.0608	0.0789
Onchocerca volvulus	Matrilysin homolog	0.0039	0.0969	0.1397
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0969	0.237
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0061	0.1985	0.1851
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0843	0.0689
Loa Loa (eye worm)	matrixin family protein	0.0087	0.3193	0.8924
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0142	0.5782	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0843	0.4246
Mycobacterium leprae	Conserved hypothetical protein	0.0061	0.1985	1
Mycobacterium ulcerans	hypothetical protein	0.0061	0.1985	1
Brugia malayi	Matrixin family protein	0.0039	0.0969	0.237
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1628	0.8202
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0969	0.237
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0843	1
Onchocerca volvulus		0.0036	0.0843	0.0907
Wolbachia endosymbiont of Brugia malayi	extracellular metallopeptidase	0.0208	0.8888	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0843	0.0689
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0165	0.5
Brugia malayi	Matrixin family protein	0.0039	0.0969	0.237
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0843	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0843	0.1997
Echinococcus multilocularis	lamin dm0	0.0031	0.0608	0.0789
Schistosoma mansoni	hypothetical protein	0.0061	0.1985	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0843	0.1997
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1367	0.3543
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0608	0.1306
Brugia malayi	beta-lactamase	0.0036	0.0843	0.1997
Onchocerca volvulus	Matrilysin homolog	0.0087	0.3193	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0061	0.1985	0.1851
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1628	0.2605
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0165	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0843	0.4246
Schistosoma mansoni	lamin	0.0031	0.0608	0.3065
Onchocerca volvulus		0.0036	0.0843	0.0907
Mycobacterium ulcerans	lipase LipD	0.0036	0.0843	0.3724
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0843	0.3724
Echinococcus multilocularis	Transglutaminase	0.0061	0.1985	0.324
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.1628	0.2605
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0843	1
Mycobacterium leprae	PROBABLE HYDROLASE	0.0048	0.1367	0.4592
Brugia malayi	Matrixin family protein	0.0039	0.0969	0.237
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0843	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0969	0.237
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0843	0.1207
Brugia malayi	Matrixin family protein	0.0039	0.0969	0.237
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0843	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0843	0.0689
Echinococcus granulosus	lamin dm0	0.0031	0.0608	0.0789
Mycobacterium leprae	Conserved hypothetical protein	0.0061	0.1985	1
Onchocerca volvulus		0.0061	0.1985	0.5326
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0843	0.1207
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0048	0.1367	0.3543
Onchocerca volvulus		0.0055	0.1733	0.4349
Schistosoma mansoni	hypothetical protein	0.0055	0.1733	0.8727
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.1628	0.4312
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0608	0.1306
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0843	0.1997
Trichomonas vaginalis	peptide N-glycanase, putative	0.0061	0.1985	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0843	0.0689
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.1628	0.4312
Onchocerca volvulus		0.0036	0.0843	0.0907
Trichomonas vaginalis	esterase, putative	0.0036	0.0843	0.3724
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0843	0.1997
Schistosoma mansoni	ap endonuclease	0.0022	0.0165	0.0832
Echinococcus granulosus	Transglutaminase	0.0061	0.1985	0.324
Loa Loa (eye worm)	matrixin family protein	0.0094	0.3558	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0843	0.1997
Schistosoma mansoni	ap endonuclease	0.0022	0.0165	0.0832
Echinococcus granulosus	intermediate filament protein	0.0031	0.0608	0.0789
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0843	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0843	0.1997
Toxoplasma gondii	ABC1 family protein	0.0036	0.0843	1
Brugia malayi	Hemopexin family protein	0.0055	0.1733	0.4619
Giardia lamblia	Hypothetical protein	0.0061	0.1985	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0843	0.1997
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0142	0.5782	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.1628	0.8202
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0843	0.1997
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0843	0.0689
Mycobacterium ulcerans	putative transglutaminase-like protein	0.0061	0.1985	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0843	0.3724
Mycobacterium tuberculosis	Hypothetical protein	0.0061	0.1985	0.1851
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0843	0.3724
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.1628	0.2605
Onchocerca volvulus		0.0039	0.0969	0.1397
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0843	0.3724
Mycobacterium tuberculosis	Long conserved protein	0.0061	0.1985	0.1851
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0843	0.3724
Mycobacterium ulcerans	hydrolase	0.0048	0.1367	0.6606

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	0 M	Evaluated for inhibition of proliferation of human coronary artery endothelial cells (ECs), induced by 5 % FBS.; NT = not tested	ChEMBL.	11229768
IC50 (functional)	> 2 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.

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Detailed information for compound 262080