TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 293.317 | Formula: C18H15NO3
H donors: 0 H acceptors: 1 LogP: 3.39 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(/N=C/c2coc3c(c2=O)cccc3)ccc1C
InChi: 1S/C18H15NO3/c1-12-7-8-14(9-17(12)21-2)19-10-13-11-22-16-6-4-3-5-15(16)18(13)20/h3-11H,1-2H3/b19-10+
InChiKey: GWUXZQOQUBBSNW-VXLYETTFSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	thymidine phosphorylase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	Get druggable targets OG5_131632	All targets in OG5_131632
Echinococcus multilocularis	thymidine phosphorylase	Get druggable targets OG5_131632	All targets in OG5_131632
Mycobacterium ulcerans	thymidine phosphorylase	Get druggable targets OG5_131632	All targets in OG5_131632
Echinococcus granulosus	thymidine phosphorylase	Get druggable targets OG5_131632	All targets in OG5_131632

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	0.0157	0.1843	0.8603
Echinococcus granulosus	geminin	0.0194	0.234	0.2308
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0027	0.0105	0.9848
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0022	0.0042	0.0131
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Schistosoma mansoni	hypothetical protein	0.0287	0.3584	1
Echinococcus multilocularis	protein kinase c iota type	0.0038	0.0249	0.0208
Mycobacterium ulcerans	thymidine phosphorylase	0.0765	1	1
Echinococcus multilocularis	geminin	0.0194	0.234	0.2308
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0046	0.0365	0.0324
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0053	0.0451	0.041
Echinococcus granulosus	Protein kinase C brain isozyme	0.0084	0.0868	0.0829
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0027	0.0105	0.9878
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.0765	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0027	0.0105	0.0063
Echinococcus granulosus	histone acetyltransferase MYST2	0.0053	0.0451	0.041
Echinococcus multilocularis	protein kinase c epsilon type	0.0039	0.0268	0.0227
Echinococcus granulosus	protein kinase c iota type	0.0038	0.0249	0.0208
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0027	0.0105	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0106	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0053	0.0451	0.1153
Echinococcus granulosus	SAM and MBT domain containing protein	0.0046	0.0365	0.0324
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.0216	0.264	0.2629
Onchocerca volvulus		0.0157	0.1843	1
Echinococcus multilocularis	serine threonine protein kinase	0.0068	0.0661	0.0621
Schistosoma mansoni	hypothetical protein	0.0194	0.234	0.6488
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0021	0.0027	0.0012
Brugia malayi	p70 ribosomal S6 kinase beta	0.0022	0.0042	0.01
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0365	0.0911
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0106	0.0091
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.1574	0.7335
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0027	0.0105	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0022	0.0042	0.0131
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0106	0.0091
Schistosoma mansoni	serine/threonine protein kinase	0.0084	0.0868	0.233
Loa Loa (eye worm)	mbt repeat family protein	0.0046	0.0365	0.1648
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0039	0.0268	0.1193
Schistosoma mansoni	atypical protein kinase C	0.0038	0.0249	0.0584
Brugia malayi	protein kinase C II.	0.0039	0.0268	0.1559
Loa Loa (eye worm)	cytochrome P450 family protein	0.0036	0.0228	0.1004
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0015	0.5
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.0216	0.264	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0022	0.0042	0.0131
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0027	0.0058
Schistosoma mansoni	sex comb on midleg homolog	0.0046	0.0365	0.0911
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.1574	0.7335
Brugia malayi	MH2 domain containing protein	0.0136	0.1574	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0106	0.0091
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0047	0.0375	0.1694
Echinococcus multilocularis	thymidine phosphorylase	0.0765	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0039	0.0268	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0157	0.1843	0.8603
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0046	0.0365	0.1492
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0106	0.0091
Brugia malayi	mbt repeat family protein	0.0046	0.0365	0.2185
Schistosoma mansoni	serine/threonine protein kinase	0.0084	0.0868	0.233
Brugia malayi	Cytochrome P450 family protein	0.0036	0.0228	0.13
Toxoplasma gondii	exonuclease III APE	0.0027	0.0105	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0106	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0046	0.0365	0.0911
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0106	0.0106
Loa Loa (eye worm)	hypothetical protein	0.006	0.0551	0.2526
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0022	0.0042	0.198
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0053	0.0451	0.041
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0106	0.0429
Brugia malayi	Hr1 repeat family protein	0.0022	0.0042	0.01
Brugia malayi	Protein kinase domain containing protein	0.0022	0.0042	0.01
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0027	0.0105	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0106	0.0091
Brugia malayi	Protein kinase c protein 2	0.0062	0.0581	0.3585
Trichomonas vaginalis	ap endonuclease, putative	0.0027	0.0105	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.205	0.9575
Loa Loa (eye worm)	CYP4Cod1	0.0021	0.0027	0.0058
Brugia malayi	mbt repeat family protein	0.0046	0.0365	0.2185
Brugia malayi	Protein kinase domain containing protein	0.0022	0.0042	0.01
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0106	0.0509
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0045	0.0345	0.0304
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0106	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0106	0.0091
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0022	0.0042	0.0131
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0027	0.0058
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0106	0.0091
Loa Loa (eye worm)	MBCTL1	0.0053	0.0451	0.2052
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0027	0.0105	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0027	0.0105	0.5
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0106	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0106	0.0091
Echinococcus granulosus	polycomb protein SCMH1	0.0046	0.0365	0.0324
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0106	0.0509
Echinococcus multilocularis	polycomb protein SCMH1	0.0046	0.0365	0.0324
Echinococcus granulosus	RNA directed DNA polymerase	0.0045	0.0345	0.0304
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0027	0.0105	0.009
Schistosoma mansoni	ap endonuclease	0.0027	0.0105	0.0176
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0015	0.0015
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0106	0.0106
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0053	0.0451	0.041
Onchocerca volvulus		0.0046	0.0365	0.1492
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.0216	0.264	0.264
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0106	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0027	0.0105	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0157	0.1843	0.8603
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0106	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0365	0.1648
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0188	0.2259	0.2226
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0027	0.0105	0.0105
Brugia malayi	Protein kinase domain containing protein	0.0022	0.0042	0.01
Schistosoma mansoni	ap endonuclease	0.0027	0.0105	0.0176
Echinococcus granulosus	protein kinase C gamma type	0.0068	0.0661	0.0621
Echinococcus multilocularis	RNA directed DNA polymerase	0.0045	0.0345	0.0304
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0027	0.0105	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0027	0.0105	0.5
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0053	0.0451	0.2739
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0022	0.0042	0.0131
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0106	0.0429
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0022	0.0042	0.0131
Schistosoma mansoni	hypothetical protein	0.0194	0.234	0.6488
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0345	0.1553
Brugia malayi	exodeoxyribonuclease III family protein	0.0027	0.0105	0.0503
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Echinococcus granulosus	protein kinase c epsilon type	0.0039	0.0268	0.0227
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0027	0.0105	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0188	0.2259	0.2226
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0106	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0106	0.0509
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0022	0.0042	0.0131
Trichomonas vaginalis	ap endonuclease, putative	0.0027	0.0105	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0084	0.0868	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0179	0.214	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0027	0.0105	0.0063
Trichomonas vaginalis	AGC family protein kinase	0.0022	0.0042	0.1497
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0451	0.2052

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 19.77 uM	Inhibition of Escherichia coli thymidine phosphorylase	ChEMBL.	19329330

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

ChEMBL: CHEMBL491260

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 992160