TDR Targets

Basic information

Technical information

TDR Targets ID: 875973
Name: ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-o xothieno[5,4-d]pyrimidine-6-carboxylate
MW: 362.831 | Formula: C17H15ClN2O3S
H donors: 0 H acceptors: 2 LogP: 3.94 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1sc2c(c1C)c(=O)n(cn2)Cc1ccccc1Cl
InChi: 1S/C17H15ClN2O3S/c1-3-23-17(22)14-10(2)13-15(24-14)19-9-20(16(13)21)8-11-6-4-5-7-12(11)18/h4-7,9H,3,8H2,1-2H3
InChiKey: JOSKEIPCLXUVMI-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

ethyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylate
3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[5,4-d]pyrimidinecarboxylic acid ethyl ester
3-(2-chlorobenzyl)-4-keto-5-methyl-thieno[5,4-d]pyrimidine-6-carboxylic acid ethyl ester
BAS 04805047
ZINC00783700
ST5020103

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)	hypothetical protein	0.0135	0.0464	0.0464
Echinococcus multilocularis	Niemann Pick C1 protein	0.1085	0.4086	0.4086
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Toxoplasma gondii	hypothetical protein	0.0028	0.0055	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0165	0.0577	0.0577
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.2636	1	1
Echinococcus multilocularis	serotonin transporter	0.0165	0.0577	0.0577
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.2636	1	1
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.1236	0.4664	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0577	0.0577
Loa Loa (eye worm)	norepinephrine transporter	0.0165	0.0577	0.0577
Loa Loa (eye worm)	hypothetical protein	0.2636	1	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0135	0.0464	0.0464
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0028	0.0055	0.0055
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0028	0.0055	0.0055
Onchocerca volvulus		0.0028	0.0055	0.0951
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0165	0.0577	0.0577
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0014	0.0014
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Plasmodium falciparum	transporter, putative	0.0028	0.0055	0.5
Echinococcus granulosus	serotonin transporter	0.0165	0.0577	0.0577
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0028	0.0055	0.5
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.2636	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0055	0.5
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.5
Loa Loa (eye worm)	CYP4Cod1	0.0017	0.0014	0.0014
Echinococcus granulosus	sodium and chloride dependent glycine	0.0028	0.0055	0.0055
Onchocerca volvulus		0.0165	0.0577	1
Loa Loa (eye worm)	hypothetical protein	0.1085	0.4086	0.4086
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0028	0.0055	0.0055
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.1236	0.4664	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0577	0.0577
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.0055
Schistosoma mansoni	sodium/chloride dependent transporter	0.0028	0.0055	0.0055
Echinococcus granulosus	sterol regulatory element binding protein	0.1085	0.4086	0.4086
Echinococcus granulosus	Protein patched homolog 1	0.1085	0.4086	0.4086
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0028	0.0055	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0028	0.0055	0.0055
Loa Loa (eye worm)	serotonin transporter b	0.0165	0.0577	0.0577
Brugia malayi	hypothetical protein	0.0028	0.0055	0.0055
Brugia malayi	CHE-14 protein	0.1085	0.4086	0.4086
Toxoplasma gondii	hypothetical protein	0.0028	0.0055	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0028	0.0055	0.0055
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.2636	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.0055
Echinococcus granulosus	biogenic amine 5HT receptor	0.0135	0.0464	0.0464
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.1085	0.4086	0.4086
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Loa Loa (eye worm)	cytochrome P450 family protein	0.0017	0.0014	0.0014
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.1085	0.4086	0.4086
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.1236	0.4664	0.5
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.2636	1	1
Echinococcus multilocularis	protein patched	0.1085	0.4086	0.4086
Echinococcus multilocularis	sterol regulatory element binding protein	0.1085	0.4086	0.4086
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0028	0.0055	0.0055
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0028	0.0055	0.0055
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.2636	1	1
Echinococcus multilocularis	serotonin receptor	0.0135	0.0464	0.0464
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0028	0.0055	0.0055
Schistosoma mansoni	patched 1	0.1085	0.4086	0.4086
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.0055
Onchocerca volvulus		0.0028	0.0055	0.0951
Treponema pallidum	sodium- and chloride- dependent transporter	0.0165	0.0577	0.5
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.1236	0.4664	1
Echinococcus multilocularis	serotonin receptor	0.0135	0.0464	0.0464
Plasmodium falciparum	amino acid transporter, putative	0.0028	0.0055	0.5
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Loa Loa (eye worm)	cytochrome P450 family protein	0.0017	0.0014	0.0014
Plasmodium vivax	amine transporter, putative	0.0028	0.0055	0.5
Schistosoma mansoni	sodium/chloride dependent transporter	0.0165	0.0577	0.0577
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0165	0.0577	0.0577
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Onchocerca volvulus		0.0028	0.0055	0.0951
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.2636	1	1
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.2636	1	1
Echinococcus multilocularis	protein dispatched 1	0.1085	0.4086	0.4086
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0055	0.0055
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Brugia malayi	Cytochrome P450 family protein	0.0017	0.0014	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0165	0.0577	0.0577
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0028	0.0055	0.0055
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.5
Echinococcus granulosus	Niemann Pick C1 protein	0.1085	0.4086	0.4086
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0028	0.0055	0.0055
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0028	0.0055	0.0055
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.0055
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0028	0.0055	0.0055
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0028	0.0055	0.5
Echinococcus granulosus	sodium and chloride dependent glycine	0.0028	0.0055	0.0055

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 875973