TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 246.217 | Formula: C9H14N2O6
H donors: 6 H acceptors: 6 LogP: -2.79 Rotable bonds: 1
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1C[C@@]2(NC(=O)NC2=O)[C@@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C9H14N2O6/c12-2-3-1-9(6(15)5(14)4(3)13)7(16)10-8(17)11-9/h3-6,12-15H,1-2H2,(H2,10,11,16,17)/t3-,4-,5+,6-,9-/m1/s1
InChiKey: QAHZIGHCEBUNGT-QMGFNSACSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphorylase, glycogen	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	carbohydrate phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Cryptosporidium parvum	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	Glycosyl transferase family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Giardia lamblia	Glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Cryptosporidium hominis	glycogen phosphorylase 1	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	Glycosyl transferase, family 35	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Onchocerca volvulus	Glycogen phosphorylase homolog	Get druggable targets OG5_126999	All targets in OG5_126999
Trichomonas vaginalis	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Neospora caninum	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus granulosus	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Loa Loa (eye worm)	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Candida albicans	hypothetical protein	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	Get druggable targets OG5_126999	All targets in OG5_126999
Entamoeba histolytica	glycogen phosphorylase, putative	Get druggable targets OG5_126999	All targets in OG5_126999
Chlamydia trachomatis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma mansoni	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Candida albicans	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Echinococcus multilocularis	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999
Schistosoma japonicum	Glycogen phosphorylase, brain form, putative	Get druggable targets OG5_126999	All targets in OG5_126999

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0232	0.0223
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.2592	0.5034
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0057	0.0743	0.1266
Echinococcus multilocularis	Glycosyl transferase, family 35	0.013	0.2592	0.2501
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0148	0.3042	0.2956
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0227	0.503	1
Echinococcus granulosus	glycogen phosphorylase	0.013	0.2592	0.2501
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0157	0.0072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0743	0.1266
Schistosoma mansoni	glycogen phosphorylase	0.013	0.2592	0.2501
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0424	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0227	0.503	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0047	0.0484	0.583
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0057	0.0743	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0224	0.0208
Loa Loa (eye worm)	phosphatidylinositol 3	0.0068	0.1025	0.1035
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0227	0.503	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0217	0.4781	0.9492
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0483	0.0736
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0483	0.0736
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0418	0.0602
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0078	0.1275	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0078	0.1275	0.2348
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0157	0.3263	0.6399
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0078	0.1275	0.2348
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0057	0.0743	0.1266
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0068	0.1025	0.1841
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0232	0.0223
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0102	0.1889	0.3601
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0057	0.0743	0.0629
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0148	0.3042	0.5949
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0418	0.0602
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0483	0.0736
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0158	0.0074
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0158	0.0074
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0057	0.0743	0.1266
Entamoeba histolytica	hypothetical protein	0.0181	0.3877	0.7652
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0743	0.1266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0158	0.0074
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0157	0.3263	0.6399
Loa Loa (eye worm)	phosphatidylinositol 3	0.0057	0.0743	0.0712
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0057	0.0743	0.0629
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0056	0.0726	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0078	0.1275	0.2348
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0227	0.503	1
Entamoeba histolytica	glycogenphosphorylase, putative	0.0056	0.0726	0.1231
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0181	0.3877	0.7652
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0078	0.1275	0.2348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.0557	0.0887
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0047	0.0484	0.3799
Loa Loa (eye worm)	hypothetical protein	0.0148	0.3042	0.3346
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.2592	0.5034
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0032	0.0122	0.5
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0148	0.3042	0.2956
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.0726	0.1231
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.0726	0.1231
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0078	0.1275	0.2348
Loa Loa (eye worm)	glycogen phosphorylase	0.013	0.2592	0.2831
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0056	0.0726	0.5
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.2592	0.2501
Giardia lamblia	Glycogen phosphorylase	0.013	0.2592	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0424	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0227	0.503	1
Chlamydia trachomatis	glycogen phosphorylase	0.013	0.2592	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0325	0.0413
Brugia malayi	carbohydrate phosphorylase	0.013	0.2592	0.5034
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0057	0.0743	0.1266
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.003	0.0073	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0079	0.1293	0.1342
Loa Loa (eye worm)	phosphatidylinositol 3	0.0378	0.8847	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0197	0.4275	0.8462
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0078	0.1275	0.2348
Trypanosoma cruzi	target of rapamycin kinase 3	0.0047	0.0484	0.0738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0418	0.0602
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0078	0.1275	0.2348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0158	0.0074
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0057	0.0743	0.5832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0483	0.0736
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0057	0.0743	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0057	0.0743	0.5832
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0057	0.0743	0.0629
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0297	0.0357
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0418	0.0602
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0157	0.0072
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0418	0.0602
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0232	0.0223
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0227	0.503	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0157	0.0072
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0227	0.503	1
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.2592	0.2501
Echinococcus granulosus	Glycosyl transferase family 35	0.013	0.2592	0.2501
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0044	0.0418	1
Onchocerca volvulus	Glycogen phosphorylase homolog	0.013	0.2592	0.5
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0057	0.0743	0.1266
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0032	0.0122	0.0957
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.2592	0.5034
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0032	0.0122	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0418	0.0602
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.0483	0.0736
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0078	0.1275	0.1167
Echinococcus granulosus	glycogen phosphorylase	0.013	0.2592	0.2501
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0111	0.211	0.7443
Giardia lamblia	GTOR	0.0057	0.0743	0.0195
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0224	0.0208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0057	0.0743	0.1266
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0044	0.0418	0.0602
Schistosoma mansoni	glycogen phosphorylase	0.0056	0.0726	0.0612
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.2592	0.5034
Schistosoma mansoni	glycogen phosphorylase	0.013	0.2592	0.2501

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 3 uM	Inhibitory activity of the compound against rabbit Muscle glycogen phosphorylase b	ChEMBL.	15214781
Ki (binding)	= 3 uM	Inhibitory activity of the compound against rabbit Muscle glycogen phosphorylase b	ChEMBL.	15214781

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 207007