TDR Targets

Basic information

Technical information

TDR Targets ID: 623811
Name: methyl 2-[[4-amino-5-[(3,4-dimethoxybenzoyl)a mino]-6-oxo-3H-pyrimidin-2-yl]sulfanyl]propan oate
MW: 408.429 | Formula: C17H20N4O6S
H donors: 3 H acceptors: 5 LogP: 1.78 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C(Sc1nc(N)c(c(n1)O)NC(=O)c1ccc(c(c1)OC)OC)C
InChi: 1S/C17H20N4O6S/c1-8(16(24)27-4)28-17-20-13(18)12(15(23)21-17)19-14(22)9-5-6-10(25-2)11(7-9)26-3/h5-8H,1-4H3,(H,19,22)(H3,18,20,21,23)
InChiKey: ZVISFMZQUCMDRZ-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

2-[[4-amino-5-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-6-oxo-3H-pyrimidin-2-yl]thio]propanoic acid methyl ester
2-[[4-amino-5-[(3,4-dimethoxybenzoyl)amino]-6-keto-3H-pyrimidin-2-yl]thio]propionic acid methyl ester
methyl 2-[[4-amino-5-[(3,4-dimethoxyphenyl)carbonylamino]-6-oxo-3H-pyrimidin-2-yl]sulfanyl]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
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0691	0.3374
Echinococcus granulosus	carboxylesterase 5A	0.0246	0.3271	0.3207
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0339	0.1402
Schistosoma mansoni	gliotactin	0.0042	0.0381	0.029
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0427	0.0814
Onchocerca volvulus		0.0042	0.0381	0.5
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0311	0.4195	1
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0038	0.0331	0.5
Onchocerca volvulus		0.0042	0.0381	0.5
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0339	0.0249
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0063	0.0691	0.0604
Echinococcus granulosus	acetylcholinesterase	0.0246	0.3271	0.3207
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0311	0.4195	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0691	0.3374
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0038	0.0331	0.058
Mycobacterium tuberculosis	Possible toxin MazF4	0.0147	0.1866	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0246	0.3271	0.7747
Echinococcus multilocularis	neuroligin	0.0042	0.0381	0.029
Loa Loa (eye worm)	carboxylesterase	0.0042	0.0381	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0381	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0381	0.0701
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0427	0.0337
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0038	0.0331	0.8276
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0038	0.0331	0.024
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0093	0.1904
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0038	0.0331	0.5
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0038	0.0331	0.058
Mycobacterium tuberculosis	Toxin MazF6	0.0147	0.1866	1
Brugia malayi	Carboxylesterase family protein	0.0042	0.0381	0.0701
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0339	0.8566
Onchocerca volvulus		0.0042	0.0381	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Mycobacterium tuberculosis	Possible toxin MazF5	0.0147	0.1866	1
Mycobacterium ulcerans	hypothetical protein	0.0147	0.1866	1
Schistosoma mansoni	hypothetical protein	0.0186	0.2426	0.2355
Mycobacterium tuberculosis	Conserved protein	0.0147	0.1866	1
Loa Loa (eye worm)	carboxylesterase	0.0246	0.3271	0.7747
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0339	0.139
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0381	0.0701
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Echinococcus granulosus	acetylcholinesterase	0.0246	0.3271	0.3207
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0489	0.0965
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0427	0.0337
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0042	0.0381	0.029
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0311	0.4195	0.414
Schistosoma mansoni	acetylcholinesterase	0.0042	0.0381	0.029
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0038	0.0331	0.058
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0339	0.8566
Leishmania major	DNA polymerase eta, putative	0.0049	0.0489	0.6617
Brugia malayi	Inositol-1	0.0039	0.0339	0.0601
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0339	0.0249
Leishmania major	DNA polymerase eta, putative	0.0035	0.0282	0.316
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0038	0.0331	0.398
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0339	0.0249
Echinococcus multilocularis	microtubule associated protein 2	0.0722	1	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0691	0.0604
Brugia malayi	Carboxylesterase family protein	0.0246	0.3271	0.7747
Mycobacterium tuberculosis	Possible toxin MazF7	0.0147	0.1866	1
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0038	0.0331	0.1198
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0063	0.0691	0.3374
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0038	0.0331	0.6773
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0339	0.0249
Echinococcus multilocularis	acetylcholinesterase	0.0246	0.3271	0.3207
Loa Loa (eye worm)	inositol-1	0.0039	0.0339	0.0601
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0339	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0093	0.1904
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0038	0.0331	0.058
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.0282	0.1067
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0038	0.0331	0.9662
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0427	0.0814
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0381	0.0701
Trichomonas vaginalis	spcc417.12 protein, putative	0.0042	0.0381	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0381	0.0701
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0042	0.0381	0.029
Mycobacterium tuberculosis	Toxin MazF3	0.0147	0.1866	1
Brugia malayi	Carboxylesterase family protein	0.0042	0.0381	0.0701
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0339	0.8566
Mycobacterium tuberculosis	Toxin MazF9	0.0147	0.1866	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0339	0.5
Schistosoma mansoni	hypothetical protein	0.0186	0.2426	0.2355
Echinococcus multilocularis	para nitrobenzyl esterase	0.0042	0.0381	0.029
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0038	0.0331	0.024
Echinococcus multilocularis	carboxylesterase 5A	0.0246	0.3271	0.3207
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0038	0.0331	0.8276
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0042	0.0381	0.1622
Schistosoma mansoni	aldehyde dehydrogenase	0.0063	0.0691	0.0604
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0427	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0381	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0246	0.3271	0.7747
Echinococcus multilocularis	geminin	0.0186	0.2426	0.2355
Mycobacterium tuberculosis	Toxin MazF2	0.0147	0.1866	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Trypanosoma cruzi	DNA polymerase eta, putative	0.0049	0.0489	1
Schistosoma mansoni	DNA polymerase eta	0.0049	0.0489	0.04
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0339	0.6943
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Echinococcus granulosus	dna polymerase eta	0.0049	0.0489	0.04
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Echinococcus granulosus	para nitrobenzyl esterase	0.0042	0.0381	0.029
Trypanosoma cruzi	DNA polymerase eta, putative	0.0035	0.0282	0.4775
Brugia malayi	Carboxylesterase family protein	0.0246	0.3271	0.7747
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0042	0.0381	0.029
Loa Loa (eye worm)	hypothetical protein	0.0246	0.3271	0.7747
Mycobacterium ulcerans	carboxylesterase, LipT	0.0042	0.0381	0.1622
Brugia malayi	Carboxylesterase family protein	0.0042	0.0381	0.0701
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0427	0.0337
Echinococcus granulosus	geminin	0.0186	0.2426	0.2355
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0311	0.4195	0.414
Schistosoma mansoni	microtubule-associated protein tau	0.0722	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0427	0.0337
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0042	0.0381	0.029
Brugia malayi	ImpB/MucB/SamB family protein	0.0049	0.0489	0.0965
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0381	0.0701
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0063	0.0691	0.0604
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0093	0.5
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0038	0.0331	0.024
Toxoplasma gondii	aldehyde dehydrogenase	0.0063	0.0691	1
Echinococcus granulosus	neuroligin	0.0042	0.0381	0.029
Schistosoma mansoni	BC026374 protein (S09 family)	0.0042	0.0381	0.029
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0339	0.6225
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0427	0.0337
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0427	0.0337
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0339	0.6225
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0038	0.0331	0.6014
Loa Loa (eye worm)	carboxylesterase	0.0042	0.0381	0.0701
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0042	0.0381	0.1622
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0093	0.1904
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0035	0.0282	0.5
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0339	0.4119
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0042	0.0381	0.029
Onchocerca volvulus		0.0042	0.0381	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0093	0.1904
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0038	0.0331	0.6014
Mycobacterium tuberculosis	Possible toxin MazF1	0.0147	0.1866	1
Brugia malayi	hypothetical protein	0.0042	0.0381	0.0701
Echinococcus multilocularis	acetylcholinesterase	0.0246	0.3271	0.3207
Trypanosoma brucei	DNA polymerase eta, putative	0.0049	0.0489	1
Trypanosoma brucei	unspecified product	0.0021	0.0093	0.1904
Onchocerca volvulus		0.0042	0.0381	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0063	0.0691	0.3374
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0042	0.0381	0.1622
Echinococcus granulosus	BC026374 protein S09 family	0.0042	0.0381	0.029
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0042	0.0381	0.029
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0063	0.0691	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0042	0.0381	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0042	0.0381	0.029
Brugia malayi	Carboxylesterase family protein	0.0042	0.0381	0.0701
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0246	0.3271	0.3207
Echinococcus multilocularis	dna polymerase eta	0.0049	0.0489	0.04
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0311	0.4195	0.414

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 623811