TDR Targets

Basic information

Technical information

TDR Targets ID: 675889
Name: methyl 2-[5-(3-nitrophenyl)-4-oxothieno[2,3-d ]pyrimidin-3-yl]butanoate
MW: 373.383 | Formula: C17H15N3O5S
H donors: 0 H acceptors: 4 LogP: 3.21 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCC(n1cnc2c(c1=O)c(cs2)c1cccc(c1)[N+](=O)[O-])C(=O)OC
InChi: 1S/C17H15N3O5S/c1-3-13(17(22)25-2)19-9-18-15-14(16(19)21)12(8-26-15)10-5-4-6-11(7-10)20(23)24/h4-9,13H,3H2,1-2H3
InChiKey: GJKPWWHPEWGDFA-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

methyl 2-[5-(3-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]butanoate
2-[5-(3-nitrophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid methyl ester
2-[4-keto-5-(3-nitrophenyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid methyl ester
ST5195077

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 tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0041	0.2883
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0011	0.0007	0.0007
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.4323	1	1
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0069	0.0141	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.004	0.2502
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0023	0.1647
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0041	0.2545
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0041	0.0041
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0159	0.0159
Echinococcus multilocularis	inositol monophosphatase 1	0.0077	0.0159	0.0159
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0026	0.5648
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0077	0.0159	0.5
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0041	0.2545
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.004	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0011	0.0007	0.0007
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.004	1
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0159	1
Schistosoma mansoni	hypothetical protein	0.0182	0.0404	0.0404
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0041	0.0041
Echinococcus multilocularis	muscleblind protein	0.0149	0.0328	0.0328
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0041	0.2545
Loa Loa (eye worm)	hypothetical protein	0.0025	0.004	0.004
Echinococcus multilocularis	geminin	0.0182	0.0404	0.0404
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0041	0.2883
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.004	0.2502
Onchocerca volvulus		0.0011	0.0007	0.1744
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0041	0.2545
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0041	0.2545
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0008	0.0008
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0023	0.1647
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.1308	0.3013	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0026	0.0026
Chlamydia trachomatis	SWIB complex protein	0.0011	0.0007	0.2763
Echinococcus granulosus	geminin	0.0182	0.0404	0.0404
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.0007	0.0007
Brugia malayi	hypothetical protein	0.0016	0.0019	0.0019
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0041	0.2545
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0077	0.0159	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0077	0.0159	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0026	0.0026
Brugia malayi	hypothetical protein	0.0025	0.004	0.004
Brugia malayi	SWIB/MDM2 domain containing protein	0.0011	0.0007	0.0007
Schistosoma mansoni	inositol monophosphatase	0.0077	0.0159	0.0159
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0328	0.0328
Brugia malayi	brahma associated protein 60 kDa	0.0011	0.0007	0.0007
Schistosoma mansoni	hypothetical protein	0.0011	0.0007	0.0007
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0041	0.2545
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0026	0.1606
Echinococcus granulosus	SWI:SNF matrix associated	0.0011	0.0007	0.0007
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0041	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0026	0.0026
Brugia malayi	brahma associated protein 60 kDa	0.0011	0.0007	0.0007
Loa Loa (eye worm)	inositol-1	0.0077	0.0159	0.0159
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0026	0.5648
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0041	0.2883
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.004	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0023	0.1647
Echinococcus granulosus	inositol monophosphatase 1	0.0077	0.0159	0.0159
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0159	0.0528
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0077	0.0159	1
Schistosoma mansoni	brg-1 associated factor	0.0011	0.0007	0.0007
Schistosoma mansoni	protein kinase	0.4323	1	1
Loa Loa (eye worm)	brahma associated protein	0.0011	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0026	0.0026
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0041	0.2545
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0041	0.2545
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0159	0.0528
Loa Loa (eye worm)	hypothetical protein	0.4317	0.9985	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.0007	0.0007
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0023	0.1647
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0041	0.2883
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0069	0.0141	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0008	0.0008
Loa Loa (eye worm)	hypothetical protein	0.1302	0.2998	0.3003
Echinococcus granulosus	muscleblind protein	0.0149	0.0328	0.0328
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0007	0.0444
Giardia lamblia	Hypothetical protein	0.0008	0	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0041	0.2545
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0011	0.0007	0.0444
Echinococcus multilocularis	muscleblind protein 1	0.0149	0.0328	0.0328
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0159	1
Schistosoma mansoni	protein kinase	0.4323	1	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.1308	0.3013	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0041	0.0041
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.4323	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0041	0.2545
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.004	0.0132
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0026	0.0026
Brugia malayi	Inositol-1	0.0077	0.0159	0.0159
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0011	0.0007	0.0444
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0041	0.2545
Onchocerca volvulus		0.0026	0.0041	1
Leishmania major	hypothetical protein, conserved	0.0025	0.004	0.2502
Schistosoma mansoni	hypothetical protein	0.0011	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0041	0.0041
Brugia malayi	Muscleblind-like protein	0.0149	0.0328	0.0328
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.1308	0.3013	0.3017
Schistosoma mansoni	hypothetical protein	0.0011	0.0007	0.0007
Trichomonas vaginalis	inositol monophosphatase, putative	0.0077	0.0159	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0011	0.0007	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0041	0.0041
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0077	0.0159	1
Schistosoma mansoni	hypothetical protein	0.0182	0.0404	0.0404
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0026	0.1819
Loa Loa (eye worm)	hypothetical protein	0.0149	0.0328	0.0328
Chlamydia trachomatis	DNA topoisomerase I	0.0011	0.0007	0.2763
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0008	0.0008
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0077	0.0159	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.004	0.0132
Echinococcus multilocularis	SWI:SNF matrix associated	0.0011	0.0007	0.0007
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0041	0.2545
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0026	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0041	0.2545

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

Search by Saint Jude

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 675889