TDR Targets

Basic information

Technical information

TDR Targets ID: 876025
Name: butan-2-yl 2-(6-ethyl-4-oxothieno[2,3-d]pyrim idin-3-yl)propanoate
MW: 308.396 | Formula: C15H20N2O3S
H donors: 0 H acceptors: 2 LogP: 3.38 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCC(OC(=O)C(n1cnc2c(c1=O)cc(s2)CC)C)C
InChi: 1S/C15H20N2O3S/c1-5-9(3)20-15(19)10(4)17-8-16-13-12(14(17)18)7-11(6-2)21-13/h7-10H,5-6H2,1-4H3
InChiKey: AUMBZLVWPXODJN-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

sec-butyl 2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate
2-(6-ethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid sec-butyl ester
2-(6-ethyl-4-keto-thieno[2,3-d]pyrimidin-3-yl)propionic acid sec-butyl ester
butan-2-yl 2-(6-ethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate

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
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0064	0.2534	0.6994
Trypanosoma cruzi	cysteine peptidase, putative	0.0079	0.3622	0.3622
Brugia malayi	Cytochrome P450 family protein	0.0062	0.2386	0.2386
Onchocerca volvulus		0.0079	0.3622	1
Plasmodium vivax	vivapain-2	0.0079	0.3622	1
Echinococcus multilocularis	cysteine protease	0.0079	0.3622	0.2924
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Brugia malayi	Cathepsin L-like precursor	0.0079	0.3622	0.3622
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1826	0.1826
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0079	0.3622	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0167	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Loa Loa (eye worm)	cathepsin B	0.0064	0.2534	0.2534
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Brugia malayi	Papain family cysteine protease containing protein	0.0079	0.3622	0.3622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1826	0.1826
Loa Loa (eye worm)	cytochrome P450 family protein	0.0062	0.2386	0.2386
Trypanosoma cruzi	cysteine peptidase, putative	0.0079	0.3622	0.3622
Echinococcus multilocularis	cathepsin L cysteine protease	0.0079	0.3622	0.2924
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0064	0.2534	0.1716
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1826	0.1826
Toxoplasma gondii	cathepsin CPL	0.0079	0.3622	1
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0064	0.2534	0.2534
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Brugia malayi	cathepsin L-like precursor	0.0055	0.1826	0.1826
Schistosoma mansoni	cathepsin F (C01 family)	0.0055	0.1826	0.093
Brugia malayi	Papain family cysteine protease containing protein	0.0043	0.0987	0.0987
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Giardia lamblia	Cathepsin B precursor	0.0064	0.2534	0.5
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0043	0.0987	0.0987
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0064	0.2534	0.6994
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0079	0.3622	1
Entamoeba histolytica	cysteine proteinase, putative	0.0079	0.3622	1
Onchocerca volvulus	Cathepsin F homolog	0.0079	0.3622	1
Loa Loa (eye worm)	cysteine protease	0.0079	0.3622	0.3622
Onchocerca volvulus	Cathepsin L homolog	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0079	0.3622	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.0987	0.2725
Giardia lamblia	Cathepsin B precursor	0.0064	0.2534	0.5
Echinococcus multilocularis	cysteine protease	0.0079	0.3622	0.2924
Onchocerca volvulus		0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Entamoeba histolytica	cysteine proteinase, putative	0.0055	0.1826	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0167	1	1
Echinococcus multilocularis	cathepsin b	0.0167	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0043	0.0987	0.0987
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0167	1	1
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1826	0.1826
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Leishmania major	cysteine peptidase A (CPA)	0.0079	0.3622	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0167	1	1
Brugia malayi	Cathepsin L-like precursor	0.0079	0.3622	0.3622
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0079	0.3622	0.2924
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0064	0.2534	0.5868
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0079	0.3622	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0055	0.1826	0.1826
Trypanosoma cruzi	cysteine peptidase, putative	0.0079	0.3622	0.3622
Brugia malayi	Cathepsin L-like precursor	0.0079	0.3622	0.3622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0055	0.1826	0.1826
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0079	0.3622	0.3622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0079	0.3622	0.2924
Loa Loa (eye worm)	fibroinase	0.0079	0.3622	0.3622
Brugia malayi	Papain family cysteine protease containing protein	0.0043	0.0987	0.0987
Trypanosoma cruzi	cysteine peptidase, putative	0.0043	0.0987	0.0987
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0079	0.3622	0.3622
Echinococcus granulosus	cathepsin b	0.0167	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0167	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0079	0.3622	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Brugia malayi	Cathepsin L-like precursor	0.0079	0.3622	0.3622
Onchocerca volvulus		0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.003	0	0.5
Entamoeba histolytica	cysteine protease, putative	0.0079	0.3622	1
Echinococcus granulosus	cathepsin l1	0.0079	0.3622	0.2924
Loa Loa (eye worm)	hypothetical protein	0.0079	0.3622	0.3622
Onchocerca volvulus		0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Plasmodium vivax	vivapain-2	0.0079	0.3622	1
Onchocerca volvulus		0.0079	0.3622	1
Giardia lamblia	Cathepsin B precursor	0.0064	0.2534	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0167	1	1
Brugia malayi	Cathepsin L-like precursor	0.0079	0.3622	0.3622
Onchocerca volvulus	Cathepsin L homolog	0.0079	0.3622	1
Onchocerca volvulus		0.0079	0.3622	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0079	0.3622	0.3622
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Loa Loa (eye worm)	ctsf protein	0.0079	0.3622	0.3622
Onchocerca volvulus		0.0079	0.3622	1
Brugia malayi	Cathepsin L-like precursor	0.0079	0.3622	0.3622
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0079	0.3622	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1826	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0055	0.1826	0.3182
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0079	0.3622	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.0987	0.2725
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0079	0.3622	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0079	0.3622	0.3622
Trypanosoma cruzi	cysteine protease, putative	0.0043	0.0987	0.0987
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0079	0.3622	1
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0043	0.0987	0.0987
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0079	0.3622	0.2924
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0079	0.3622	0.2924
Echinococcus granulosus	cathepsin l1	0.0055	0.1826	0.093
Echinococcus multilocularis	cathepsin b	0.0167	1	1
Leishmania major	cathepsin L-like protease	0.0079	0.3622	1
Brugia malayi	Cathepsin L-like precursor	0.0055	0.1826	0.1826
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0079	0.3622	1
Echinococcus granulosus	cathepsin b	0.0167	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0079	0.3622	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 876025