TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 341.317 | Formula: C14H19N3O7
H donors: 7 H acceptors: 6 LogP: -1.45 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: OC[C@H]1O[C@@H](NC(=O)NC(=O)c2ccc(cc2)N)[C@@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
InChiKey: PVSVRIIRRQSFIR-BZNQNGANSA-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
Oryctolagus cuniculus	Glycogen phosphorylase, muscle form	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Chlamydia trachomatis	glycogen phosphorylase	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 granulosus	glycogen phosphorylase	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
Echinococcus granulosus	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
Entamoeba histolytica	glycogen phosphorylase, putative	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
Echinococcus multilocularis	Glycosyl transferase, family 35	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 multilocularis	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
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
Schistosoma mansoni	glycogen phosphorylase	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
Schistosoma mansoni	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
Brugia malayi	carbohydrate 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
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 japonicum	ko:K00688 starch phosphorylase [EC2.4.1.1], putative	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	glycogen phosphorylase	Get druggable targets OG5_126999	All targets in OG5_126999

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Onchocerca volvulus		Glycogen phosphorylase, muscle form	843 aa	840 aa	70.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0416	0.2692
Entamoeba histolytica	hypothetical protein	0.0074	0.1767	0.4699
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0416	0.0416
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0919	0.0919
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.0801	0.7542
Trichomonas vaginalis	esterase, putative	0.0035	0.0416	0.1084
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0416	0.0218
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0919	0.0919
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0996	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0919	0.0919
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.0801	0.0801
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0416	0.2692
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0416	0.0296
Schistosoma mansoni	thyroid hormone receptor	0.0147	0.4329	0.4329
Schistosoma mansoni	hypothetical protein	0.0074	0.1767	0.1767
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1074	0.0889
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0416	0.0218
Schistosoma mansoni	transcription factor LCR-F1	0.0074	0.1767	0.1767
Echinococcus granulosus	glycogen phosphorylase	0.013	0.3748	0.3748
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0919	0.0919
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0203	0.0203
Chlamydia trachomatis	glycogen phosphorylase	0.013	0.3748	0.5
Schistosoma mansoni	glycogen phosphorylase	0.0056	0.1161	0.1161
Schistosoma mansoni	glycogen phosphorylase	0.013	0.3748	0.3748
Entamoeba histolytica	acetyltransferase, GNAT family	0.0042	0.0667	0.1754
Toxoplasma gondii	ABC1 family protein	0.0035	0.0416	0.2692
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0152	0.4513	0.4513
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.0801	0.7542
Brugia malayi	beta-lactamase	0.0035	0.0416	0.0296
Brugia malayi	carbohydrate phosphorylase	0.013	0.3748	0.491
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0919	0.0919
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0157	0.4667	0.4667
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0416	0.0218
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0919	0.0731
Onchocerca volvulus	Glycogen phosphorylase homolog	0.013	0.3748	1
Schistosoma mansoni	thyroid hormone receptor	0.0147	0.4329	0.4329
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0416	0.4114
Loa Loa (eye worm)	glycogen phosphorylase	0.013	0.3748	0.3618
Brugia malayi	RNA, U transporter 1	0.0082	0.207	0.2586
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.3748	0.3748
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.1074	0.1207
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0416	0.1084
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0919	0.0919
Entamoeba histolytica	hypothetical protein	0.0074	0.1767	0.4699
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0416	0.0218
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0996	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0416	0.0218
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0996	1
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0056	0.1161	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0478	0.0381
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0478	0.0281
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0056	0.1161	0.1127
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0136	0.3947	0.3947
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0416	0.0218
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.1074	0.1207
Brugia malayi	hypothetical protein	0.0074	0.1767	0.2167
Schistosoma mansoni	importin beta-1	0.0029	0.0203	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0416	0.0218
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.3748	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0416	0.0218
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0157	0.4667	0.4667
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0416	0.4114
Leishmania major	hypothetical protein, conserved	0.0052	0.0996	1
Schistosoma mansoni	hypothetical protein	0.0136	0.3947	0.3947
Schistosoma mansoni	glycogen phosphorylase	0.013	0.3748	0.3748
Loa Loa (eye worm)	MH2 domain-containing protein	0.0236	0.7423	0.7369
Brugia malayi	acetyltransferase, GNAT family protein	0.0157	0.4667	0.6183
Echinococcus multilocularis	snurportin 1	0.0309	1	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0416	0.1084
Brugia malayi	MH2 domain containing protein	0.0236	0.7423	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0416	0.1084
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0416	0.5
Loa Loa (eye worm)	acetyltransferase	0.0157	0.4667	0.4557
Entamoeba histolytica	glycogen phosphorylase, putative	0.013	0.3748	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0996	1
Brugia malayi	hypothetical protein	0.0033	0.0356	0.0212
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0074	0.1767	0.1767
Leishmania major	hypothetical protein, conserved	0.0035	0.0416	0.4114
Entamoeba histolytica	hypothetical protein	0.0074	0.1767	0.4699
Echinococcus granulosus	Glycosyl transferase family 35	0.013	0.3748	0.3748
Echinococcus multilocularis	glycogen phosphorylase	0.013	0.3748	0.3748
Echinococcus granulosus	glycogen phosphorylase	0.013	0.3748	0.3748
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0996	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0147	0.4329	0.4329
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0203	0.0203
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0309	1	1
Echinococcus multilocularis	Glycosyl transferase, family 35	0.013	0.3748	0.3748
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.7023	1
Schistosoma mansoni	hypothetical protein	0.0309	1	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0478	0.0478
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.0801	0.2113
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0996	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0416	0.1084
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0996	0.0809
Brugia malayi	beta-lactamase family protein	0.0035	0.0416	0.0296
Plasmodium falciparum	histone acetyltransferase GCN5	0.0042	0.0667	0.585
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.3748	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.0801	0.7542
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0416	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0236	0.7423	0.7369
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0074	0.1767	0.1767
Trichomonas vaginalis	glycogen phosphorylase, putative	0.013	0.3748	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.1074	0.0889
Entamoeba histolytica	hypothetical protein	0.0074	0.1767	0.4699
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0136	0.3947	0.3947
Brugia malayi	hypothetical protein	0.0052	0.0996	0.1098
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0996	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0416	0.1084
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.1161	0.3076
Brugia malayi	beta-lactamase family protein	0.0035	0.0416	0.0296
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0919	0.0991
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0416	0.0416
Entamoeba histolytica	glycogen phosphorylase, putative	0.0056	0.1161	0.3076
Giardia lamblia	Glycogen phosphorylase	0.013	0.3748	1
Entamoeba histolytica	glycogenphosphorylase, putative	0.0056	0.1161	0.3076
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0919	0.0919
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0416	0.0416
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.0801	0.2113

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 6 uM	Inhibition of rabbit muscle glycogen phosphorylase b	ChEMBL.	19450985
Ki (binding)	= 6 uM	Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8	ChEMBL.	22325154

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: CHEMBL556336

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 1175470