TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.372 | Formula: C13H18N4O3S
H donors: 1 H acceptors: 5 LogP: 3.33 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C(Sc1nnc2n1c(C)c(c(n2)O)C)CC
InChi: 1S/C13H18N4O3S/c1-5-9(11(19)20-6-2)21-13-16-15-12-14-10(18)7(3)8(4)17(12)13/h9H,5-6H2,1-4H3,(H,14,15,18)
InChiKey: CFFRSBYJCQNSRM-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
Toxoplasma gondii	kinesin motor domain-containing protein	0.0052	0.0926	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0505	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0216	0.0368
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0388	0.0388
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0493	0.0493
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0388	0.0661
Loa Loa (eye worm)	MH2 domain-containing protein	0.024	0.5862	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0388	0.0448
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0388	0.0388
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.2064	0.2064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0205	0.0002
Onchocerca volvulus		0.0049	0.0862	0.0977
Loa Loa (eye worm)	hypothetical protein	0.003	0.0351	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0241	0.0411
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0493	0.057
Schistosoma mansoni	intermediate filament proteins	0.0053	0.0959	0.1109
Plasmodium vivax	kinesin-5	0.0052	0.0926	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0505	0.0542
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0745	0.0745
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0021	0.0126	0.0985
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0745	0.0974
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0505	0.6514
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0026	0.0241	0.0241
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.2151	0.367
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0862	0.1471
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0351	0.0351
Echinococcus granulosus	intermediate filament protein	0.0053	0.0959	0.0959
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0351	0.0406
Echinococcus granulosus	GPCR family 2	0.0031	0.0388	0.0388
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.0959	0.1636
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0029	0.0332	0.0332
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0265	0.0111
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0573	0.0665
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0216	0.0368
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0351	0.0351
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0505	0.0542
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0205	0.0002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0358	0.0278
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0505	0.0542
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0745	0.127
Onchocerca volvulus		0.003	0.0351	0.0034
Echinococcus granulosus	lamin dm0	0.0053	0.0959	0.0959
Schistosoma mansoni	hypothetical protein	0.0031	0.0388	0.0448
Echinococcus granulosus	peregrin	0.0029	0.0332	0.0332
Echinococcus granulosus	lamin	0.0053	0.0959	0.0959
Schistosoma mansoni	hypothetical protein	0.0031	0.0388	0.0448
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.2151	0.367
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0388	0.0388
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.2151	0.367
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0444	0.0432
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0493	0.057
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0745	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0444	0.0432
Brugia malayi	Pre-SET motif family protein	0.003	0.0351	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2151	0.367
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0332	0.0332
Schistosoma mansoni	kinesin eg-5	0.0052	0.0926	0.1071
Schistosoma mansoni	hypothetical protein	0.0031	0.0388	0.0448
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0351	0.0406
Brugia malayi	PHD-finger family protein	0.0029	0.0332	0.0567
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0351	0.0307
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.5004	0.8537
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0028	0.0315	0.0537
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0205	0.0002
Echinococcus multilocularis	lamin	0.0053	0.0959	0.0959
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0351	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0332	0.0567
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0959	0.1636
Brugia malayi	jmjC domain containing protein	0.0035	0.0493	0.084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0444	0.0432
Giardia lamblia	GTOR	0.0045	0.0745	0.6941
Schistosoma mansoni	hypothetical protein	0.0067	0.1335	0.1544
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0444	0.0432
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0272	0.0123
Loa Loa (eye worm)	hypothetical protein	0.005	0.0876	0.1495
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0493	0.084
Brugia malayi	Pre-SET motif family protein	0.0207	0.5004	0.8537
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.0959	0.1636
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0265	0.0111
Brugia malayi	jmjC domain containing protein	0.0095	0.2064	0.3521
Schistosoma mansoni	lamin	0.0053	0.0959	0.1109
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0862	0.0998
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0388	0.0661
Schistosoma mansoni	hypothetical protein	0.0029	0.0332	0.0385
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0322	0.0322
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0745	1
Echinococcus multilocularis	tumor protein p63	0.0337	0.8392	0.8392
Schistosoma mansoni	hypothetical protein	0.0346	0.8645	1
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.5755	1
Plasmodium vivax	SET domain protein, putative	0.003	0.0351	0.0307
Onchocerca volvulus		0.0236	0.5755	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0388	0.0388
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0272	0.0123
Loa Loa (eye worm)	PHD-finger family protein	0.0029	0.0332	0.0567
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.2064	0.2064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0444	0.0432
Loa Loa (eye worm)	transcription factor SMAD2	0.024	0.5862	1
Giardia lamblia	Kinesin-5	0.0052	0.0926	1
Echinococcus multilocularis	musashi	0.0053	0.0959	0.0959
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0745	0.127
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0388	0.0388
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0444	0.1877
Schistosoma mansoni	lamin	0.0053	0.0959	0.1109
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0745	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0933	0.1592
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0444	0.0432
Onchocerca volvulus		0.0053	0.0959	0.1155
Echinococcus multilocularis	lamin dm0	0.0053	0.0959	0.0959
Echinococcus granulosus	tumor protein p63	0.0337	0.8392	0.8392
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0351	0.0406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0444	0.0432
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.0959	0.1636
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0351	0.0351
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0052	0.0926	0.158
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0505	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0388	0.0661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0333	0.0233
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0493	0.0493
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0631	0.0631
Brugia malayi	cytoplasmic intermediate filament protein	0.0028	0.0315	0.0537
Echinococcus multilocularis	peregrin	0.0029	0.0332	0.0332
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0388	0.0661
Brugia malayi	intermediate filament protein	0.0053	0.0959	0.1636
Brugia malayi	MH2 domain containing protein	0.024	0.5862	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0029	0.0332	0.0385
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0272	0.0123
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0026	0.0241	0.0241
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0745	0.0861
Brugia malayi	Bromodomain containing protein	0.0029	0.0332	0.0567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0745	0.0974
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0745	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0745	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0745	1
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.1552	0.1795
Plasmodium falciparum	kinesin-5	0.0052	0.0926	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.1143	0.195
Entamoeba histolytica	kinesin, putative	0.0052	0.0926	1
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0631	0.0631
Echinococcus multilocularis	kinesin family 1	0.0398	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0745	0.0974
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1335	0.2277
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.1335	0.2277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0024	0.0205	0.0002
Brugia malayi	Kinesin motor domain containing protein	0.0052	0.0926	0.158
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0745	0.0745
Onchocerca volvulus		0.0053	0.0959	0.1155

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 691047