TDR Targets

Basic information

Technical information

TDR Targets ID: 791673
Name: methyl 2-[[2-[3-(4-fluorophenyl)-2,4-dioxothi eno[2,3-e]pyrimidin-1-yl]acetyl]amino]benzoat e
MW: 453.443 | Formula: C22H16FN3O5S
H donors: 1 H acceptors: 4 LogP: 3.79 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccccc1NC(=O)Cn1c2ccsc2c(=O)n(c1=O)c1ccc(cc1)F
InChi: 1S/C22H16FN3O5S/c1-31-21(29)15-4-2-3-5-16(15)24-18(27)12-25-17-10-11-32-19(17)20(28)26(22(25)30)14-8-6-13(23)7-9-14/h2-11H,12H2,1H3,(H,24,27)
InChiKey: HTLONQYUHGNLSL-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

methyl 2-[[2-[3-(4-fluorophenyl)-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]acetyl]amino]benzoate
2-[[2-[3-(4-fluorophenyl)-2,4-dioxo-1-thieno[2,3-e]pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester
2-[[2-[3-(4-fluorophenyl)-2,4-diketo-thieno[2,3-e]pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester
methyl 2-[2-[3-(4-fluorophenyl)-2,4-dioxo-thieno[2,3-e]pyrimidin-1-yl]ethanoylamino]benzoate
EU-0090658

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
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0052	0.0052
Brugia malayi	MH2 domain containing protein	0.0125	0.3638	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0506	0.1391
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1704	0.4683
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PTPB (protein-tyrosine-phosphatase) (PTPase)	0.0189	0.5598	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0095	0.0261
Brugia malayi	MH1 domain containing protein	0.0009	0.0052	0.0143
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0052	0.028
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0095	0.0095
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0506	1
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.1284	0.6944
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0007	0	0.5
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0325	0.5
Brugia malayi	nuclear hormone receptor	0.001	0.0095	0.0261
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0743	0.2042
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0325	0.058
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0095	0.0514
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0095	0.0095
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0506	0.1391
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0095	0.0261
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0506	0.0904
Brugia malayi	Smad1	0.0009	0.0052	0.0143
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0095	0.0514
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0095	0.0261
Schistosoma mansoni	hypothetical protein	0.0067	0.1849	1
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1704	0.4683
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0095	0.0261
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0052	0.0143
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0095	0.0095
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpB	0.0189	0.5598	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1284	0.353
Brugia malayi	MH2 domain containing protein	0.0009	0.0052	0.0143
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0095	0.0261
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0052	0.028
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0506	0.3465
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0095	0.0095
Brugia malayi	ecdysteroid receptor	0.001	0.0095	0.0261
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0296	0.0528
Toxoplasma gondii	propionate-CoA ligase	0.0007	0	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0743	0.0743
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0095	0.0095
Brugia malayi	steroid hormone receptor	0.001	0.0095	0.0261
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0506	0.0904
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.1849	0.5083
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0095	0.074
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0095	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0325	0.0893
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0506	0.0904
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0325	0.0893
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0095	0.0261
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0095	0.0261
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0296	0.0528
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0506	0.0904
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0506	0.3465
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0052	0.028
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0325	0.0893
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0095	0.0514
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0506	0.0904
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0095	0.0261
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0095	0.0095
Echinococcus granulosus	smad	0.0009	0.0052	0.0052
Brugia malayi	MH2 domain containing protein	0.0009	0.0052	0.0143
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0296	0.0528
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0506	0.0904
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0052	0.028
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0095	0.0261
Onchocerca volvulus		0.001	0.0095	0.074
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.3638	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0743	0.2042
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0506	0.0904
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0743	0.0743
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0095	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1849	0.5083
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0095	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0325	0.0893
Brugia malayi	RNA binding protein	0.0062	0.1704	0.4683
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0506	0.0904
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0095	0.0095
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0095	0.0261
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0095	0.074
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0743	0.2042
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0052	0.0143
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1704	0.4683
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0506	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0095	0.0261
Brugia malayi	TAR-binding protein	0.0062	0.1704	0.4683
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0095	0.0514
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0095	0.0514
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2802	0.7703
Onchocerca volvulus		0.0023	0.0506	0.3941
Schistosoma mansoni	hypothetical protein	0.0031	0.0743	0.4018
Leishmania major	hypothetical protein, unknown function	0.0054	0.146	0.2609
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0506	0.1391
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0007	0	0.5
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0095	0.0514
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0007	0	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0095	0.0095
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.3638	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.2802	0.7703
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0095	0.0514
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0506	0.0904
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0052	0.0052
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0095	0.074
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0095	0.0261
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0095	0.0095
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1704	0.1704
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0095	0.0261
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0095	0.0095
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0743	0.0743
Trichomonas vaginalis	conserved hypothetical protein	0.0189	0.5598	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1704	0.9214
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0095	0.0261
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0095	0.0514
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0052	0.0052
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0095	0.0261
Schistosoma mansoni	coup transcription factor	0.001	0.0095	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0743	0.2042
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0325	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.2802	0.7703
Entamoeba histolytica	phosphatidylinositol-3,4,5-trisphosphate 3-phosphatase, putative	0.0054	0.146	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0506	0.0904
Schistosoma mansoni	hypothetical protein	0.0031	0.0743	0.4018
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0506	0.1391
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0095	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0095	0.0261
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0743	0.0743
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0095	0.0261
Schistosoma mansoni	hypothetical protein	0.0031	0.0743	0.4018
Echinococcus multilocularis	smad	0.0009	0.0052	0.0052
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0325	0.0893
Leishmania major	phosphoinositide phosphatase	0.0189	0.5598	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0743	0.0743
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0506	0.0904
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1704	0.1704
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0095	0.0095
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.2802	0.7703
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0095	0.0514
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0095	0.0261
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0007	0	0.5
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0052	0.0052
Schistosoma mansoni	smad	0.0009	0.0052	0.028
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0095	0.0095
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0743	0.0743
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0325	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1704	0.9214
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0506	0.0904
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0095	0.0261
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0506	0.1391
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1704	0.9214
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0095	0.0514
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0325	0.058
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0296	0.0528
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1704	0.9214
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1704	0.9214
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0095	0.0261
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0506	0.1391
Brugia malayi	MH1 domain containing protein	0.0009	0.0052	0.0143
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1704	0.4683
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.001	0.0095	0.0261
Brugia malayi	nuclear receptor NHR-88	0.001	0.0095	0.0261
Echinococcus multilocularis	tumor protein p63	0.0332	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0506	0.3465
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0095	0.0095
Onchocerca volvulus		0.0049	0.1284	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0095	0.0261
Trypanosoma cruzi	tyrosine phosphatase, putative	0.0054	0.146	1
Echinococcus multilocularis	Smad4	0.0009	0.0052	0.0052
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0095	0.0095
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0095	0.0095
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0095	0.0514
Entamoeba histolytica	hypothetical protein, conserved	0.0054	0.146	1
Schistosoma mansoni	Smad4	0.0009	0.0052	0.028
Echinococcus granulosus	Smad4	0.0009	0.0052	0.0052
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0095	0.0095
Loa Loa (eye worm)	Smad1	0.0009	0.0052	0.0143
Schistosoma mansoni	hypothetical protein	0.0031	0.0743	0.4018
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0506	0.0904

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 791673