TDR Targets

Basic information

Technical information

TDR Targets ID: 1644208
Name: ethyl 5-(5-methoxy-3-methyl-5-oxopenta-1,3-di enyl)-2-phenylfuran-3-carboxylate
MW: 340.37 | Formula: C20H20O5
H donors: 0 H acceptors: 2 LogP: 4.45 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cc(oc1c1ccccc1)/C=C/C(=C/C(=O)OC)/C
InChi: 1S/C20H20O5/c1-4-24-20(22)17-13-16(11-10-14(2)12-18(21)23-3)25-19(17)15-8-6-5-7-9-15/h5-13H,4H2,1-3H3/b11-10+,14-12+
InChiKey: KZYPTCODBKPILP-CYZWUHAYSA-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

ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-2-phenylfuran-3-carboxylate
ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxo-penta-1,3-dienyl]-2-phenyl-furan-3-carboxylate
ethyl 5-(5-methoxy-3-methyl-5-oxo-penta-1,3-dienyl)-2-phenyl-furan-3-carboxylate
5-(5-methoxy-3-methyl-5-oxopenta-1,3-dienyl)-2-phenyl-3-furancarboxylic acid ethyl ester
5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-2-phenyl-3-furancarboxylic acid ethyl ester
5-(5-keto-5-methoxy-3-methyl-penta-1,3-dienyl)-2-phenyl-furan-3-carboxylic acid ethyl ester
5-[(1E,3E)-5-keto-5-methoxy-3-methyl-penta-1,3-dienyl]-2-phenyl-furan-3-carboxylic acid ethyl ester
NCI60_012854

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)	ctsf protein	0.0801	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0538	0.5101	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0801	1	1
Brugia malayi	cathepsin L-like precursor	0.0538	0.5101	0.5101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0538	0.5101	0.5101
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0289	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Echinococcus multilocularis	cysteine protease	0.0801	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0801	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0289	0.0477	0.0477
Brugia malayi	Cathepsin L-like precursor	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0415	0.2814	0.2814
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Onchocerca volvulus		0.0801	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0801	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0289	0.0477	0.0477
Onchocerca volvulus		0.0801	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Brugia malayi	Cathepsin L-like precursor	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Loa Loa (eye worm)	cysteine protease	0.0801	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0801	1	1
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Echinococcus granulosus	cathepsin l1	0.0538	0.5101	0.4855
Onchocerca volvulus	Cathepsin L homolog	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0801	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0415	0.2814	0.2814
Onchocerca volvulus		0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0538	0.5101	0.3182
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0801	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0801	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0538	0.5101	0.5101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Loa Loa (eye worm)	hypothetical protein	0.0801	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0801	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0801	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0415	0.2814	0.2454
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Toxoplasma gondii	cathepsin CPL	0.0801	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0801	1	1
Loa Loa (eye worm)	hypothetical protein	0.0538	0.5101	0.5101
Onchocerca volvulus		0.0801	1	1
Trypanosoma cruzi	cysteine protease, putative	0.0415	0.2814	0.2814
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Plasmodium vivax	unspecified product	0.0415	0.2814	0.2814
Brugia malayi	Cathepsin L-like precursor	0.0801	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0415	0.2814	0.2814
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0415	0.2814	0.2814
Plasmodium vivax	vivapain-1	0.0415	0.2814	0.2814
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Loa Loa (eye worm)	fibroinase	0.0801	1	1
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Echinococcus multilocularis	cathepsin L	0.0415	0.2814	0.2454
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0538	0.5101	0.5101
Echinococcus multilocularis	cathepsin L cysteine protease	0.0801	1	1
Onchocerca volvulus		0.0801	1	1
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0415	0.2814	0.2814
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Echinococcus granulosus	cysteine protease	0.0415	0.2814	0.2454
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0801	1	1
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Echinococcus granulosus	cathepsin l1	0.0801	1	1
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Loa Loa (eye worm)	hypothetical protein	0.0289	0.0477	0.0477
Onchocerca volvulus		0.0801	1	1
Brugia malayi	Cathepsin L-like precursor	0.0538	0.5101	0.5101
Brugia malayi	Papain family cysteine protease containing protein	0.0415	0.2814	0.2814
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Echinococcus granulosus	cathepsin L	0.0415	0.2814	0.2454
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0801	1	1
Echinococcus multilocularis	cysteine protease	0.0801	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0801	1	1
Loa Loa (eye worm)	hypothetical protein	0.0538	0.5101	0.5101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0538	0.5101	0.3182
Entamoeba histolytica	cysteine proteinase, putative	0.0801	1	1
Entamoeba histolytica	cysteine protease, putative	0.0801	1	1
Brugia malayi	Cathepsin L-like precursor	0.0801	1	1
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0415	0.2814	0.2814
Plasmodium vivax	vivapain-2	0.0801	1	1
Loa Loa (eye worm)	hypothetical protein	0.0538	0.5101	0.5101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0801	1	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0415	0.2814	0.2814
Onchocerca volvulus		0.0801	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0289	0.0477	0.0477
Schistosoma mansoni	cathepsin F (C01 family)	0.0801	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0415	0.2814	0.2814
Brugia malayi	Cathepsin L-like precursor	0.0538	0.5101	0.5101
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0801	1	1
Plasmodium vivax	vivapain-3	0.0415	0.2814	0.2814
Leishmania major	cysteine peptidase A (CPA)	0.0801	1	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0289	0.0477	0.0477
Leishmania major	cathepsin L-like protease	0.0801	1	0.5
Brugia malayi	Cathepsin L-like precursor	0.0801	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0289	0.0477	0.0477
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0801	1	1
Plasmodium vivax	vivapain-2	0.0801	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0801	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.451	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.358	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.335	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.209	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.144	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.132	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1999598

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1644208