TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.451 | Formula: C16H24N4O4S
H donors: 3 H acceptors: 6 LogP: 1.75 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCSc1ncnc2c1cnn2C1OC(C(C1O)O)CO
InChi: 1S/C16H24N4O4S/c1-2-3-4-5-6-25-15-10-7-19-20(14(10)17-9-18-15)16-13(23)12(22)11(8-21)24-16/h7,9,11-13,16,21-23H,2-6,8H2,1H3
InChiKey: PRKPMSIEFNWPRM-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
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0227	0.0582
Echinococcus granulosus	geminin	0.0168	0.2401	0.6505
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.1308	0.3525
Echinococcus granulosus	lamin dm0	0.0031	0.0229	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0227	0.0572
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0022	0.0089	0.0205
Schistosoma mansoni	Protoporphyrinogen oxidase chloroplast/mitochondrial precursor	0.0085	0.1077	0.2898
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1354	0.3418
Echinococcus multilocularis	lamin	0.0031	0.0229	0.0587
Mycobacterium leprae	PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO)	0.0085	0.1077	0.5
Loa Loa (eye worm)	hypothetical protein	0.0267	0.3961	1
Plasmodium vivax	protoporphyrinogen oxidase, putative	0.0085	0.1077	0.5
Schistosoma mansoni	hypothetical protein	0.0049	0.0513	0.1361
Echinococcus granulosus	survival motor neuron protein 1	0.0241	0.3543	0.9615
Echinococcus multilocularis		0.0085	0.1077	0.2898
Toxoplasma gondii	histone lysine-specific demethylase	0.0085	0.1077	1
Mycobacterium ulcerans	monoamine oxidase	0.0085	0.1077	0.0998
Trypanosoma cruzi	DNA polymerase eta, putative	0.0036	0.0311	0.2245
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0227	0.0572
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0227	0.0582
Schistosoma mansoni	amine oxidase	0.0085	0.1077	0.2898
Plasmodium vivax	hypothetical protein, conserved	0.0085	0.1077	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.1286	0.3247
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0099	0.1308	0.3301
Echinococcus multilocularis	survival motor neuron protein 1	0.0241	0.3543	0.9615
Onchocerca volvulus		0.0267	0.3961	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0085	0.1077	0.1154
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.1308	0.3525
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0227	0.0582
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0796	0.2009
Toxoplasma gondii	histone lysine-specific demethylase LSD1/BHC110/KDMA1A	0.0085	0.1077	1
Mycobacterium ulcerans	protoporphyrinogen oxidase	0.0085	0.1077	0.0998
Leishmania major	DNA polymerase eta, putative	0.0036	0.0311	0.2245
Echinococcus granulosus	lysine specific histone demethylase 1A	0.0085	0.1077	0.2898
Loa Loa (eye worm)	hypothetical protein	0.025	0.3685	0.9301
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0227	0.0572
Echinococcus granulosus	intermediate filament protein	0.0031	0.0229	0.0587
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.0582
Trypanosoma cruzi	DNA polymerase eta, putative	0.0052	0.0553	0.4702
Echinococcus multilocularis	lamin dm0	0.0031	0.0229	0.0587
Onchocerca volvulus		0.0049	0.0513	0.0762
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0033
Mycobacterium ulcerans	oxidoreductase	0.0085	0.1077	0.0998
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.1308	0.3525
Echinococcus multilocularis	lysine specific histone demethylase 1A	0.025	0.3685	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0052	0.0553	1
Brugia malayi	intermediate filament protein	0.0031	0.0229	0.0577
Brugia malayi	ImpB/MucB/SamB family protein	0.0052	0.0553	0.1397
Echinococcus multilocularis	protoporphyrinogen oxidase	0.0085	0.1077	0.2898
Plasmodium vivax	lysine-specific histone demethylase 1, putative	0.0085	0.1077	0.5
Brugia malayi	SWIRM domain containing protein	0.0017	0.0013	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1077	0.2719
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0099	0.1308	0.3525
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.1286	0.3247
Trichomonas vaginalis	DNA polymerase eta, putative	0.0022	0.0089	1
Schistosoma mansoni	lamin	0.0031	0.0229	0.0587
Echinococcus multilocularis	musashi	0.0031	0.0229	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0031	0.022	0.0554
Mycobacterium ulcerans	dehydrogenase	0.0085	0.1077	0.0998
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.1286	0.3247
Plasmodium falciparum	protoporphyrinogen oxidase	0.0085	0.1077	0.5
Loa Loa (eye worm)	hypothetical protein	0.0241	0.3543	0.8944
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.0582
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.0229	0.0577
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0022	0.0089	0.0205
Schistosoma mansoni	hypothetical protein	0.0168	0.2401	0.6505
Schistosoma mansoni	Lysine-specific histone demethylase 1	0.025	0.3685	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0227	0.0582
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0022	0.0089	0.0224
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0227	0.0572
Schistosoma mansoni	hypothetical protein	0.0168	0.2401	0.6505
Echinococcus granulosus	lysine specific histone demethylase 1A	0.025	0.3685	1
Echinococcus granulosus	dna polymerase eta	0.0052	0.0553	0.1472
Brugia malayi	ImpB/MucB/SamB family protein	0.0022	0.0089	0.0224
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.0582
Brugia malayi	hypothetical protein	0.0241	0.3543	0.8944
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0036	0.0311	0.2795
Loa Loa (eye worm)	hypothetical protein	0.025	0.3685	0.9301
Schistosoma mansoni	amine oxidase	0.0085	0.1077	0.2898
Echinococcus multilocularis	dna polymerase kappa	0.0022	0.0089	0.0205
Chlamydia trachomatis	protoporphyrinogen oxidase	0.0085	0.1077	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.1308	0.3525
Giardia lamblia	DINP protein human, muc B family	0.0022	0.0089	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0022	0.0089	0.0205
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0022	0.0089	1
Brugia malayi	amine oxidase, flavin-containing family protein	0.0102	0.1354	0.3418
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0085	0.1077	0.5
Loa Loa (eye worm)	hypothetical protein	0.0085	0.1077	0.2719
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0099	0.1308	0.3525
Schistosoma mansoni	intermediate filament proteins	0.0031	0.0229	0.0587
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0564	0.8659	1
Echinococcus granulosus	lamin	0.0031	0.0229	0.0587
Leishmania major	DNA polymerase eta, putative	0.0052	0.0553	0.4702
Leishmania major	UDP-galactopyranose mutase	0.0085	0.1077	1
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0227	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0553	0.1397
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0022	0.0089	0.0205
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0099	0.1308	0.3525
Echinococcus multilocularis	dna polymerase eta	0.0052	0.0553	0.1472
Schistosoma mansoni	DNA polymerase eta	0.0052	0.0553	0.1472
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1286	0.3247
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0022	0.0089	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0649	1	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0513	0.1361
Brugia malayi	hypothetical protein	0.0085	0.1077	0.2719
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0227	0.0582
Schistosoma mansoni	lamin	0.0031	0.0229	0.0587
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0099	0.1308	0.3301
Mycobacterium tuberculosis	Possible oxidoreductase	0.0085	0.1077	0.1154
Brugia malayi	SWIRM domain containing protein	0.0267	0.3961	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0229	0.0577
Schistosoma mansoni	hypothetical protein	0.0031	0.0227	0.0582
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0796	0.2009
Schistosoma mansoni	hypothetical protein	0.0067	0.0796	0.2132
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0513	0.1295
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.0229	0.0577
Plasmodium falciparum	lysine-specific histone demethylase 1, putative	0.0085	0.1077	0.5
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0085	0.1077	1
Trypanosoma cruzi	UDP-galactopyranose mutase	0.0085	0.1077	1
Echinococcus multilocularis	geminin	0.0168	0.2401	0.6505
Plasmodium vivax	hypothetical protein, conserved	0.0085	0.1077	0.5
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.0229	0.0577
Echinococcus granulosus	dna polymerase kappa	0.0022	0.0089	0.0205

Activities

Activity type	Activity value	Assay description	Source	Reference
MEC (functional)	= 0.019 mg l-1	Inhibition Eimeria tenella growth	ChEMBL.	7086819
No. of chicks (functional)	= 0	Number of chicks cleared of eimeria tenella lesions out of a group of 5 when given in the diet at 50 p.p.m.	ChEMBL.	7086819
No. of chicks (functional)	= 0	Number of chicks cleared of eimeria tenella lesions out of a group of 5 when given in the diet at 25 p.p.m.	ChEMBL.	7086819
No. of chicks (functional)	= 2	Number of chicks cleared of eimeria tenella lesions out of a group of 5 when given in the diet at 100 ppm	ChEMBL.	7086819
No. of chicks (functional)	= 5	Number of chicks cleared of eimeria tenella lesions out of a group of 5 when given in the diet at 200 ppm	ChEMBL.	7086819

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: 293547

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 205045