TDR Targets

Basic information

Technical information

TDR Targets ID: 1053292
Name: (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[5-(4-me thylphenyl)-1,2,4-oxadiazol-3-yl]oxane-3,4,5- triol
MW: 322.313 | Formula: C15H18N2O6
H donors: 4 H acceptors: 6 LogP: -0.26 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@H]1O[C@@H](c2noc(n2)c2ccc(cc2)C)[C@@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C15H18N2O6/c1-7-2-4-8(5-3-7)15-16-14(17-23-15)13-12(21)11(20)10(19)9(6-18)22-13/h2-5,9-13,18-21H,6H2,1H3/t9-,10-,11+,12-,13-/m1/s1
InChiKey: FRUNFHHUOVLGMY-UJPOAAIJSA-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

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]tetrahydropyran-3,4,5-triol
(2R,3S,4R,5R,6S)-2-methylol-6-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]tetrahydropyran-3,4,5-triol

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
Mycobacterium leprae	Conserved hypothetical protein	0.0491	0.2823	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0125	0.0266
Loa Loa (eye worm)	carboxylesterase	0.0757	0.4443	1
Onchocerca volvulus		0.0047	0.0115	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0609	0.1359
Schistosoma mansoni	hypothetical protein	0.0033	0.0031	0.0056
Onchocerca volvulus		0.023	0.123	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0043	0.0082
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0125	0.0266
Loa Loa (eye worm)	transcription factor SMAD2	0.0236	0.1265	0.2837
Schistosoma mansoni	gliotactin	0.0128	0.0609	0.1359
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0128	0.0609	0.1372
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.011	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0609	0.1359
Echinococcus granulosus	BC026374 protein S09 family	0.0128	0.0609	0.1372
Loa Loa (eye worm)	twinkle helicase	0.0107	0.0483	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0757	0.4443	1
Leishmania major	mitochondrial DNA polymerase beta	0.0293	0.1615	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.011	0.0233
Toxoplasma gondii	hypothetical protein	0.0047	0.0118	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.011	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0609	0.1359
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.1228	0.2752
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.011	0.0233
Plasmodium vivax	SET domain protein, putative	0.0029	0.0006	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0006	0.0015
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.011	0.0233
Brugia malayi	Carboxylesterase family protein	0.0757	0.4443	1
Echinococcus granulosus	acetylcholinesterase	0.0757	0.4443	1
Brugia malayi	Carboxylesterase family protein	0.0128	0.0609	0.1359
Brugia malayi	MH2 domain containing protein	0.0236	0.1265	0.2837
Trichomonas vaginalis	set domain proteins, putative	0.023	0.123	1
Echinococcus multilocularis	acetylcholinesterase	0.0757	0.4443	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0154	0.077	0.0171
Echinococcus granulosus	para nitrobenzyl esterase	0.0128	0.0609	0.1372
Schistosoma mansoni	BC026374 protein (S09 family)	0.0128	0.0609	0.1359
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0293	0.1615	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.106	0.2375
Echinococcus multilocularis	carboxylesterase 5A	0.0757	0.4443	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0031	0.0056
Loa Loa (eye worm)	carboxylesterase	0.0128	0.0609	0.1359
Echinococcus granulosus	microtubule associated protein 2	0.0693	0.4048	0.9111
Entamoeba histolytica	hypothetical protein	0.0035	0.0043	0.5
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0609	0.1359
Onchocerca volvulus		0.0128	0.0609	0.4929
Brugia malayi	hypothetical protein	0.0128	0.0609	0.1359
Brugia malayi	Carboxylesterase family protein	0.0757	0.4443	1
Onchocerca volvulus		0.0128	0.0609	0.4929
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0125	0.0266
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0043	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0609	0.1359
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0136	0.0358
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0128	0.0609	0.1359
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0125	0.0266
Schistosoma mansoni	acetylcholinesterase	0.0128	0.0609	0.1359
Echinococcus multilocularis	para nitrobenzyl esterase	0.0128	0.0609	0.1359
Brugia malayi	hypothetical protein	0.0035	0.0043	0.0082
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0757	0.4443	1
Mycobacterium tuberculosis	RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)].	0.1295	0.7716	0.7568
Treponema pallidum	replicative DNA helicase (dnaB)	0.0375	0.2114	0.5
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0609	0.1359
Brugia malayi	Carboxylesterase family protein	0.0128	0.0609	0.1359
Brugia malayi	Pre-SET motif family protein	0.0202	0.106	0.2375
Schistosoma mansoni	hypothetical protein	0.0047	0.0115	0.0245
Schistosoma mansoni	hypothetical protein	0.0035	0.0043	0.0082
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0128	0.0609	0.1359
Entamoeba histolytica	hypothetical protein	0.0035	0.0043	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0128	0.0609	0.1359
Brugia malayi	hypothetical protein	0.0229	0.1228	0.2752
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1228	0.2752
Loa Loa (eye worm)	MH2 domain-containing protein	0.0236	0.1265	0.2837
Echinococcus granulosus	carboxylesterase 5A	0.0757	0.4443	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0139	0.0675	0.3871
Brugia malayi	Carboxylesterase family protein	0.0128	0.0609	0.1359
Echinococcus multilocularis	neuroligin	0.0128	0.0609	0.1359
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0139	0.0675	0.3871
Loa Loa (eye worm)	acetylcholinesterase 1	0.0757	0.4443	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.011	0.0247
Onchocerca volvulus		0.0128	0.0609	0.4929
Echinococcus multilocularis	microtubule associated protein 2	0.0693	0.4048	0.911
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0609	0.1359
Entamoeba histolytica	hypothetical protein	0.0035	0.0043	0.5
Echinococcus granulosus	neuroligin	0.0128	0.0609	0.1372
Wolbachia endosymbiont of Brugia malayi	replicative DNA helicase	0.0375	0.2114	0.5
Loa Loa (eye worm)	hypothetical protein	0.0757	0.4443	1
Echinococcus multilocularis	acetylcholinesterase	0.0757	0.4443	1
Chlamydia trachomatis	replicative DNA helicase	0.0375	0.2114	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0293	0.1615	1
Onchocerca volvulus		0.0128	0.0609	0.4929
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0128	0.0609	0.1359
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0128	0.0609	0.1359
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.011	0.0233
Echinococcus granulosus	acetylcholinesterase	0.0757	0.4443	1
Brugia malayi	Carboxylesterase family protein	0.0128	0.0609	0.1359
Mycobacterium ulcerans	hypothetical protein	0.0154	0.077	0.1068
Schistosoma mansoni	microtubule-associated protein tau	0.0693	0.4048	0.911
Loa Loa (eye worm)	carboxylesterase	0.0128	0.0609	0.1359
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.011	0.0233
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0115	0.0245
Mycobacterium ulcerans	replicative DNA helicase DnaB	0.0375	0.2114	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0293	0.1615	1
Onchocerca volvulus		0.0128	0.0609	0.4929
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.011	0.0247
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0043	0.0096
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0115	0.0245
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.1228	0.2763
Entamoeba histolytica	hypothetical protein	0.0035	0.0043	0.5
Schistosoma mansoni	Replicative DNA helicase	0.0375	0.2114	0.475
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0128	0.0609	0.1359
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0031	0.0056

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 350 uM	Inhibition of rabbit muscle glycogen phosphorylase b	ChEMBL.	19450985

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: CHEMBL559671

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1053292