TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 222.244 | Formula: C10H14N4O2
H donors: 1 H acceptors: 3 LogP: -0.01 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)c1noc(n1)C1CN2CCC1CC2
InChi: 1S/C10H14N4O2/c11-8(15)9-12-10(16-13-9)7-5-14-3-1-6(7)2-4-14/h6-7H,1-5H2,(H2,11,15)
InChiKey: TVNSJVDDXTWOED-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

No synonyms found for this compound

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	0.0252	0.2003	1
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0159	0.0122
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0151	0.1227
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0278	0.139
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0051	0.0414
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0159	0.0381
Trichomonas vaginalis	ribonuclease H1, putative	0.0043	0.0189	0.0044
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0264	0.0631
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0151	0.0751
Echinococcus multilocularis	musashi	0.0029	0.0067	0.0092
Schistosoma mansoni	ap endonuclease	0.0039	0.0154	0.037
Entamoeba histolytica	thymidine kinase, putative	0.1052	0.8928	1
Echinococcus multilocularis	transfer RNA-Ile	0.0503	0.4178	0.5714
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0043	0.0189	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.0908	0.1242
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0051	0.0414
Brugia malayi	RNase H family protein	0.0043	0.0189	0.0945
Brugia malayi	hypothetical protein	0.0055	0.0294	0.1467
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0154	0.0117
Trypanosoma cruzi	thymidine kinase, putative	0.1052	0.8928	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0151	0.0149
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0159	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0151	0.0751
Trypanosoma cruzi	thymidine kinase, putative	0.1052	0.8928	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0159	0.0122
Toxoplasma gondii	ribonuclease HI protein	0.0043	0.0189	0.1179
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0151	0.0751
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0133	0.0663
Leishmania major	ribonuclease H1, putative	0.0043	0.0189	0.0156
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0154	0.0117
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0151	0.0751
Echinococcus multilocularis	survival motor neuron protein 1	0.0252	0.2003	0.274
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0151	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0151	0.0751
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0245	0.1944	1
Trypanosoma cruzi	ribonuclease H1, putative	0.0043	0.0189	0.0156
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0151	0.0149
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0154	0.037
Schistosoma mansoni	lamin	0.0029	0.0067	0.016
Schistosoma mansoni	phosphoglucomutase	0.0043	0.0189	0.0453
Trichomonas vaginalis	thymidine kinase, putative	0.1052	0.8928	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0278	0.139
Echinococcus multilocularis	geminin	0.0181	0.1384	0.1893
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0163	0.1226	1
Echinococcus multilocularis	thymidine kinase	0.0503	0.4178	0.5714
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0039	0.0154	0.0171
Brugia malayi	intermediate filament protein	0.0029	0.0067	0.0335
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0116	0.0818	0.1959
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0151	0.0149
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0055	0.0294	0.0274
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0151	0.0112
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0151	0.0391
Trypanosoma brucei	ingi protein (ORF1)	0.0047	0.0221	0.0192
Schistosoma mansoni	intermediate filament proteins	0.0029	0.0067	0.016
Echinococcus multilocularis	thymidine kinase	0.0503	0.4178	0.5714
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0865	0.7312	1
Onchocerca volvulus		0.0116	0.0818	1
Brugia malayi	Dihydrofolate reductase	0.0047	0.0226	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0151	0.0751
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0159	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0067	0.0335
Trypanosoma brucei	RNA helicase, putative	0.0161	0.1211	0.1307
Schistosoma mansoni	dihydrofolate reductase	0.0047	0.0226	0.0541
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0159	0.0122
Schistosoma mansoni	phosphoglucomutase	0.0043	0.0189	0.0453
Echinococcus multilocularis	dihydrofolate reductase	0.0047	0.0226	0.0309
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0159	0.0218
Loa Loa (eye worm)	dihydrofolate reductase	0.0047	0.0226	0.1127
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.0154	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0062	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0151	0.0751
Echinococcus granulosus	survival motor neuron protein 1	0.0252	0.2003	0.4795
Echinococcus granulosus	lamin dm0	0.0029	0.0067	0.016
Trypanosoma brucei	unspecified product	0.0047	0.0221	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0278	0.139
Brugia malayi	beta-lactamase family protein	0.0038	0.0151	0.0751
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0151	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0051	0.0253
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0163	0.1226	0.1324
Onchocerca volvulus	Ribonuclease H1 homolog	0.0043	0.0189	0.2313
Toxoplasma gondii	ABC1 family protein	0.0038	0.0151	0.0849
Loa Loa (eye worm)	intermediate filament protein	0.0029	0.0067	0.0335
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0278	0.139
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.0996	0.2383
Echinococcus granulosus	dihydrofolate reductase	0.0047	0.0226	0.0541
Brugia malayi	hypothetical protein	0.0038	0.015	0.075
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0151	0.0149
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.015	0.0206
Onchocerca volvulus		0.0029	0.0067	0.0819
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0154	0.0211
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0159	0.001
Echinococcus granulosus	thymidylate synthase	0.0116	0.0818	0.1959
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0059	0.0328	0.0785
Treponema pallidum	ribonuclease H (rnhA)	0.0043	0.0189	1
Echinococcus granulosus	thymidine kinase	0.0503	0.4178	1
Brugia malayi	beta-lactamase family protein	0.0038	0.0151	0.0751
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0159	0.0129
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0151	0.036
Trypanosoma brucei	thymidine kinase	0.1052	0.8928	1
Echinococcus multilocularis	ribonuclease H1	0.0043	0.0189	0.0259
Echinococcus granulosus	lamin	0.0029	0.0067	0.016
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0116	0.0818	1
Schistosoma mansoni	hypothetical protein	0.0126	0.0908	0.2173
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0154	0.0005
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0151	0.0112
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0159	0.1339
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0159	0.0122
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0151	0.036
Trypanosoma brucei	ribonuclease H1	0.0043	0.0189	0.0156
Brugia malayi	thymidylate synthase	0.0116	0.0818	0.4086
Loa Loa (eye worm)	inositol-1	0.0039	0.0159	0.0794
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0151	0.0751
Brugia malayi	RNase H family protein	0.0043	0.0189	0.0945
Leishmania major	hypothetical protein, conserved	0.0038	0.0151	0.0112
Trichomonas vaginalis	thymidine kinase, putative	0.1052	0.8928	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0154	0.1259
Onchocerca volvulus		0.0051	0.0264	0.322
Schistosoma mansoni	hypothetical protein	0.0181	0.1384	0.3312
Giardia lamblia	Thymidine kinase	0.1052	0.8928	0.8911
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0159	0.0922
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.0908	0.2173
Brugia malayi	RNase H family protein	0.0043	0.0189	0.0945
Schistosoma mansoni	lipoxygenase	0.0059	0.0328	0.0785
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0163	0.1226	0.1324
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0163	0.1226	1
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0047	0.0226	0.1474
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.015	0.036
Brugia malayi	Inositol-1	0.0039	0.0159	0.0794
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0154	0.0004
Echinococcus granulosus	thymidine kinase	0.0503	0.4178	1
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0151	0.0391
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0151	0.036
Schistosoma mansoni	hypothetical protein	0.0161	0.1211	0.2899
Echinococcus multilocularis	lamin	0.0029	0.0067	0.0092
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0151	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0151	0.0751
Schistosoma mansoni	phosphoglucomutase	0.0043	0.0189	0.0453
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0047	0.0226	0.0563
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0133	0.0663
Trichomonas vaginalis	conserved hypothetical protein	0.0055	0.0294	0.0163
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0154	0.0004
Brugia malayi	hypothetical protein	0.0252	0.2003	1
Brugia malayi	beta-lactamase	0.0038	0.0151	0.0751
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0047	0.0226	0.1127
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0051	0.0414
Loa Loa (eye worm)	thymidylate synthase	0.0116	0.0818	0.4086
Echinococcus multilocularis	thymidylate synthase	0.0116	0.0818	0.1119
Onchocerca volvulus		0.0038	0.0151	0.1839
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0264	0.1316
Mycobacterium tuberculosis	Hypothetical protein	0.0055	0.0294	0.0936
Schistosoma mansoni	hypothetical protein	0.0038	0.015	0.036
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0159	0.001
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0154	0.0771
Onchocerca volvulus		0.0038	0.0151	0.1839
Schistosoma mansoni	thymidine kinase	0.0503	0.4178	1
Schistosoma mansoni	lamin	0.0029	0.0067	0.016
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.0996	0.2383
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.015	0.036
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0163	0.1226	1
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0047	0.0221	0.0192
Toxoplasma gondii	exonuclease III APE	0.0039	0.0154	0.0882
Schistosoma mansoni	hypothetical protein	0.0181	0.1384	0.3312
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0136	0.0996	0.1362
Brugia malayi	Intermediate filament tail domain containing protein	0.0029	0.0067	0.0335
Trypanosoma brucei	ingi protein (ORF1)	0.0047	0.0221	0.0192
Onchocerca volvulus		0.0029	0.0067	0.0819
Leishmania major	thymidine kinase, putative	0.1052	0.8928	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0029	0.0067	0.0335
Echinococcus multilocularis	lamin dm0	0.0029	0.0067	0.0092
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0151	0.0206
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0151	0.0149
Trichomonas vaginalis	thymidine kinase, putative	0.1052	0.8928	1
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0151	0.0112
Trypanosoma brucei	hypothetical protein, conserved	0.0047	0.0221	0.0192
Chlamydia trachomatis	dihydrofolate reductase	0.0047	0.0226	0.5
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0503	0.4178	1
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0151	0.0149
Brugia malayi	hypothetical protein	0.0027	0.0051	0.0253
Schistosoma mansoni	hypothetical protein	0.0107	0.0744	0.178
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0039	0.0154	0.0059
Onchocerca volvulus		0.0038	0.0151	0.1839
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0159	0.001
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0059	0.0328	0.0449
Schistosoma mansoni	hypothetical protein	0.0036	0.0133	0.0318
Schistosoma mansoni	hypothetical protein	0.0051	0.0264	0.0631
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0154	0.0771
Echinococcus granulosus	intermediate filament protein	0.0029	0.0067	0.016
Echinococcus granulosus	geminin	0.0181	0.1384	0.3312
Trypanosoma cruzi	ribonuclease H1, putative	0.0043	0.0189	0.0156
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0151	0.0149
Brugia malayi	dihydrofolate reductase family protein	0.0047	0.0226	0.1127
Echinococcus granulosus	ribonuclease H1	0.0043	0.0189	0.0453
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0163	0.1226	0.1324
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0154	0.1259
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0159	0.001
Mycobacterium ulcerans	thymidylate synthase	0.0116	0.0818	1
Giardia lamblia	Ribonuclease H	0.0043	0.0189	0.0035
Schistosoma mansoni	ap endonuclease	0.0039	0.0154	0.037
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0116	0.0818	0.3819
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.0154	0.0117

Activities

Activity type	Activity value	Assay description	Source	Reference
K app (binding)	= 1.7 uM	In vitro displacement of [3H]-OXO-M from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
K app (binding)	= 1.7 uM	In vitro displacement of [3H]-OXO-M from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
K app (binding)	= 39 uM	In vitro for its ability to displace [3H]-NMS from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
K app (binding)	= 39 uM	In vitro for its ability to displace [3H]-NMS from muscarinic acetylcholine receptor in rat cortical homogenates	ChEMBL.	2319559
Ratio (binding)	= 23	The ratio of Kapp([3H]-NMS) / Kapp([3H]-OXO-M) was determined	ChEMBL.	2319559

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

No external resources registered for this compound

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 14445