TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 302.322 | Formula: C17H18O5
H donors: 3 H acceptors: 3 LogP: 3.36 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(/C=C/Cc2ccc(c(c2OC)O)O)ccc1O
InChi: 1S/C17H18O5/c1-21-15-10-11(6-8-13(15)18)4-3-5-12-7-9-14(19)16(20)17(12)22-2/h3-4,6-10,18-20H,5H2,1-2H3/b4-3+
InChiKey: DBBOHEFMWONFNK-ONEGZZNKSA-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	aminopeptidase N PepN	0.0067	0.0466	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0065	0.0065
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0067	0.0466	0.0466
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0067	0.0466	0.5
Trypanosoma brucei	aminopeptidase, putative	0.0067	0.0466	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0466	0.0466
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0067	0.0466	0.5
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0065	0.0065
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.1262	1	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0065	0.0065
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0067	0.0466	0.0466
Echinococcus granulosus	GPCR family 2	0.0017	0.0065	0.0065
Toxoplasma gondii	aminopeptidase n, putative	0.0067	0.0466	0.5
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0067	0.0466	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0067	0.0466	0.5
Toxoplasma gondii	aminopeptidase N protein	0.0067	0.0466	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0354	0.0777
Brugia malayi	hypothetical protein	0.0067	0.0466	0.1022
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0067	0.0466	0.5
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0067	0.0466	0.5
Onchocerca volvulus		0.0067	0.0466	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0067	0.0466	0.1022
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0354	0.0777
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0067	0.0466	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0065	0.0065
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.022	0.0483
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0065	0.0065
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0065	0.0065
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0067	0.0466	0.5
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0067	0.0466	0.5
Brugia malayi	hypothetical protein	0.058	0.456	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0067	0.0466	0.0466
Echinococcus granulosus	aminopeptidase N	0.0067	0.0466	0.0466
Trypanosoma brucei	Aminopeptidase M1, putative	0.0067	0.0466	0.5
Loa Loa (eye worm)	TATA binding protein associated factor	0.0067	0.0466	0.0466
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0065	0.0142
Schistosoma mansoni	hypothetical protein	0.0036	0.022	0.022
Brugia malayi	Peptidase family M1 containing protein	0.0067	0.0466	0.1022
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0067	0.0466	0.5
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.1262	1	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0067	0.0466	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0354	0.0354
Trypanosoma brucei	Aminopeptidase M1, putative	0.0067	0.0466	0.5
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0466	0.0466
Brugia malayi	Peptidase family M1 containing protein	0.0067	0.0466	0.1022
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0466	0.0466
Onchocerca volvulus		0.0067	0.0466	0.5
Schistosoma mansoni	hypothetical protein	0.0017	0.0065	0.0065
Mycobacterium ulcerans	aminopeptidase N PepN	0.0067	0.0466	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Brugia malayi	MH2 domain containing protein	0.0127	0.0945	0.2072
Brugia malayi	TATA binding protein associated factor	0.0067	0.0466	0.1022
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0067	0.0466	0.0466
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0067	0.0466	0.5
Toxoplasma gondii	aminopeptidase N, putative	0.0067	0.0466	0.5
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0065	0.0065
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0065	0.0142
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0067	0.0466	0.5
Trypanosoma cruzi	aminopeptidase, putative	0.0067	0.0466	0.5
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0067	0.0466	0.0466
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0067	0.0466	0.5
Brugia malayi	hypothetical protein	0.0067	0.0466	0.1022
Echinococcus multilocularis	aminopeptidase N	0.0067	0.0466	0.0466
Schistosoma mansoni	hypothetical protein	0.0017	0.0065	0.0065
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Entamoeba histolytica	aminopeptidase, putative	0.0067	0.0466	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0067	0.0466	0.0466
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.0945	0.0945
Loa Loa (eye worm)	hypothetical protein	0.0036	0.022	0.022
Onchocerca volvulus		0.0067	0.0466	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0067	0.0466	0.5
Loa Loa (eye worm)	aminopeptidase N	0.0067	0.0466	0.0466
Trypanosoma cruzi	aminopeptidase, putative	0.0067	0.0466	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0067	0.0466	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0354	0.0354
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0067	0.0466	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0065	0.0065
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.0945	0.0945
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0067	0.0466	0.0466
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0067	0.0466	0.5
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.1262	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 7.5 %	Inhibition of TPA-induced EBV early antigen activation in Raji cells at 32 nmol relative to control	ChEMBL.	17316910
Inhibition (functional)	= 43.7 %	Inhibition of TPA-induced EBV early antigen activation in Raji cells at 16 nmol relative to control	ChEMBL.	17316910
Inhibition (functional)	= 70.2 %	Inhibition of TPA-induced EBV early antigen activation in Raji cells at 3.2 nmol relative to control	ChEMBL.	17316910
Inhibition (functional)	= 95.7 %	Inhibition of TPA-induced EBV early antigen activation in Raji cells at 0.32 nmol relative to control	ChEMBL.	17316910
Survival (functional)	= 60 %	Survival of Raji cells at 32 nmol by trypan blue staining method	ChEMBL.	17316910
Survival (functional)	= 60 %	Survival of Raji cells at 32 nmol by trypan blue staining method	ChEMBL.	17316910
Survival (functional)	> 80 %	Survival of Raji cells at 16 nmol by trypan blue staining method	ChEMBL.	17316910
Survival (functional)	> 80 %	Survival of Raji cells at 3.2 nmol by trypan blue staining method	ChEMBL.	17316910
Survival (functional)	> 80 %	Survival of Raji cells at 0.32 nmol by trypan blue staining method	ChEMBL.	17316910
Survival (functional)	> 80 %	Survival of Raji cells at 16 nmol by trypan blue staining method	ChEMBL.	17316910
Survival (functional)	> 80 %	Survival of Raji cells at 3.2 nmol by trypan blue staining method	ChEMBL.	17316910
Survival (functional)	> 80 %	Survival of Raji cells at 0.32 nmol by trypan blue staining method	ChEMBL.	17316910

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

ChEMBL: CHEMBL243423

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 434867