TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.283 | Formula: C11H16N6O4
H donors: 5 H acceptors: 6 LogP: -2.64 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)c1cnc2n1nc(N)nc2N
InChi: 1S/C11H16N6O4/c1-11(20)6(19)5(3-18)21-7(11)4-2-14-9-8(12)15-10(13)16-17(4)9/h2,5-7,18-20H,3H2,1H3,(H4,12,13,15,16)/t5-,6-,7+,11-/m1/s1
InChiKey: WQYSRGOXWKFONQ-FHZUQPTBSA-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
Onchocerca volvulus		0.0044	0.0298	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	0.0298	0.0298
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0122	0.2888	0.2888
Schistosoma mansoni	hypothetical protein	0.0035	0.0004	0.0004
Schistosoma mansoni	gliotactin	0.0035	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0298	0.0298
Echinococcus granulosus	carbonic anhydrase II	0.0257	0.7329	0.7329
Plasmodium vivax	polyprenol reductase, putative	0.0044	0.0298	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0157	0.4021	0.4021
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0298	0.0298
Schistosoma mansoni	thyroid hormone receptor	0.0157	0.4021	0.4021
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0339	1	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0257	0.7329	0.7329
Echinococcus multilocularis	carbonic anhydrase	0.0059	0.0796	0.0796
Plasmodium vivax	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.0298	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0035	0.0011	0.0011
Onchocerca volvulus		0.0035	0.0011	0.0023
Echinococcus granulosus	BC026374 protein S09 family	0.0035	0.0011	0.0011
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0035	0.0011	0.0011
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0044	0.0298	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.0035	0.0011	0.0011
Echinococcus multilocularis	carbonic anhydrase	0.0059	0.0796	0.0796
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0011	0.0011
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0059	0.0796	0.0796
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0004	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0393	0.0393
Echinococcus granulosus	carboxylesterase 5A	0.0035	0.0011	0.0011
Brugia malayi	Carboxylesterase family protein	0.0035	0.0011	0.0011
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.053	0.053
Onchocerca volvulus		0.0035	0.0011	0.0023
Echinococcus multilocularis	3 oxo 5 alpha steroid 4 dehydrogenase, C terminal	0.0044	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0298	0.0298
Entamoeba histolytica	trans-2,3-enoyl-CoA reductase, putative	0.0044	0.0298	0.5
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	0.0298	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0257	0.7329	1
Giardia lamblia	Synaptic glycoprotein SC2	0.0044	0.0298	0.5
Echinococcus multilocularis	carboxylesterase 5A	0.0035	0.0011	0.0011
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.053	0.053
Brugia malayi	Carboxylesterase family protein	0.0035	0.0011	0.0011
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0122	0.2888	0.2888
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	0.0298	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0796	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Echinococcus granulosus	carbonic anhydrase	0.0059	0.0796	0.0796
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0257	0.7329	0.7329
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.0298	1
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0059	0.0796	0.0796
Echinococcus granulosus	para nitrobenzyl esterase	0.0035	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0393	0.0393
Onchocerca volvulus		0.0035	0.0011	0.0023
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0011	0.0011
Onchocerca volvulus	Bile acid receptor homolog	0.0183	0.4871	1
Echinococcus multilocularis	neuroligin	0.0035	0.0011	0.0011
Schistosoma mansoni	carbonic anhydrase-related	0.0059	0.0796	0.0796
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0035	0.0011	0.0011
Echinococcus multilocularis	carbonic anhydrase	0.0059	0.0796	0.0796
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0298	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.0298	1
Echinococcus granulosus	acetylcholinesterase	0.0035	0.0011	0.0011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0393	0.0393
Echinococcus granulosus	synaptic glycoprotein sc2	0.0044	0.0298	0.0298
Echinococcus multilocularis	acetylcholinesterase	0.0035	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0122	0.2888	0.2888
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0035	0.0011	0.0011
Loa Loa (eye worm)	carbonic anhydrase 3	0.0257	0.7329	0.7329
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.053	0.053
Brugia malayi	Carboxylesterase family protein	0.0035	0.0011	0.0011
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0257	0.7329	0.7329
Echinococcus granulosus	carbonic anhydrase	0.0059	0.0796	0.0796
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0393	0.0393
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0044	0.0298	0.0298
Brugia malayi	hypothetical protein	0.0035	0.0011	0.0011
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0393	0.0393
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0305	0.8906	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0393	0.0393
Schistosoma mansoni	carbonic anhydrase	0.0059	0.0796	0.0796
Entamoeba histolytica	hypothetical protein	0.0044	0.0298	0.5
Echinococcus granulosus	acetylcholinesterase	0.0035	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0059	0.0796	0.0796
Trypanosoma brucei	carbonic anhydrase-like protein	0.0257	0.7329	1
Schistosoma mansoni	carbonic anhydrase-related	0.0059	0.0796	0.0796
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0059	0.0796	0.0796
Brugia malayi	Carboxylesterase family protein	0.0035	0.0011	0.0011
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.0298	1
Schistosoma mansoni	thyroid hormone receptor	0.0157	0.4021	0.4021
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0339	1	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0796	0.0796
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0011	0.0011
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0339	1	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0035	0.0011	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0051	0.053	0.053
Mycobacterium ulcerans	carboxylesterase, LipT	0.0305	0.8906	1
Echinococcus granulosus	carbonic anhydrase	0.0059	0.0796	0.0796
Echinococcus granulosus	geminin	0.0175	0.4634	0.4634
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Plasmodium falciparum	carbonic anhydrase	0.0059	0.0796	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0004	0.0004
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0393	0.0393
Echinococcus granulosus	3 oxo 5 alpha steroid 4 dehydrogenase C terminal	0.0044	0.0298	0.0298
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0257	0.7329	0.7329
Echinococcus multilocularis	acetylcholinesterase	0.0035	0.0011	0.0011
Loa Loa (eye worm)	carboxylesterase	0.0035	0.0011	0.0011
Onchocerca volvulus		0.0035	0.0011	0.0023
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0393	0.0393
Schistosoma mansoni	carbonic anhydrase-related	0.0059	0.0796	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0796	0.0796
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0339	1	1
Schistosoma mansoni	hypothetical protein	0.0175	0.4634	0.4634
Echinococcus multilocularis	geminin	0.0175	0.4634	0.4634
Loa Loa (eye worm)	hypothetical protein	0.0183	0.4871	0.4871
Echinococcus multilocularis	carbonic anhydrase II	0.0257	0.7329	0.7329
Echinococcus granulosus	neuroligin	0.0035	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0059	0.0796	0.0796
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0011	0.0011
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0393	0.0393
Schistosoma mansoni	BC026374 protein (S09 family)	0.0035	0.0011	0.0011
Toxoplasma gondii	hypothetical protein	0.0059	0.0796	1
Leishmania major	carbonic anhydrase-like protein	0.0257	0.7329	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0059	0.0796	0.0796
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0059	0.0796	0.0796
Entamoeba histolytica	3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein	0.0044	0.0298	0.5
Onchocerca volvulus		0.0035	0.0011	0.0023
Schistosoma mansoni	acetylcholinesterase	0.0035	0.0011	0.0011
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0035	0.0011	0.0011
Schistosoma mansoni	hypothetical protein	0.0175	0.4634	0.4634
Brugia malayi	Carboxylesterase family protein	0.0035	0.0011	0.0011
Brugia malayi	Synaptic glycoprotein SC2	0.0044	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0011	0.0011
Schistosoma mansoni	synaptic glycoprotein sc2 related	0.0044	0.0298	0.0298
Brugia malayi	ecdysteroid receptor	0.0183	0.4871	0.4871
Trichomonas vaginalis	synaptic glycoprotein sc2, putative	0.0044	0.0298	1
Brugia malayi	Carboxylesterase family protein	0.0035	0.0011	0.0011
Echinococcus multilocularis	synaptic glycoprotein sc2	0.0044	0.0298	0.0298
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0257	0.7329	0.7329
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0044	0.0298	1
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0298	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0257	0.7329	1

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

ChEMBL: CHEMBL3337582

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 932614