TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 277.314 | Formula: C12H23NO6
H donors: 4 H acceptors: 4 LogP: -0.65 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@@H]1OC(CNC(=O)C(C)(C)C)[C@H](C([C@@H]1O)O)O
InChi: 1S/C12H23NO6/c1-12(2,3)11(17)13-5-6-7(14)8(15)9(16)10(18-4)19-6/h6-10,14-16H,5H2,1-4H3,(H,13,17)/t6?,7-,8?,9+,10-/m1/s1
InChiKey: XNEUWCYWSGMFID-KZCAZGHVSA-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
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0	0.5
Schistosoma mansoni	glycogen phosphorylase	0.0105	0.2444	0.3147
Brugia malayi	cytidine deaminase, identical	0.0055	0.0932	0.3814
Giardia lamblia	Glycogen phosphorylase	0.0105	0.2444	1
Echinococcus granulosus	Glycosyl transferase family 35	0.0105	0.2444	0.1947
Echinococcus granulosus	glycogen phosphorylase	0.0105	0.2444	0.1947
Echinococcus multilocularis	thymidine kinase	0.0237	0.6422	0.6187
Entamoeba histolytica	cytidine deaminase, putative	0.0055	0.0932	0.1652
Echinococcus multilocularis	geminin	0.0175	0.4553	0.4195
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0105	0.2444	0.1947
Echinococcus multilocularis	glycogen phosphorylase	0.0105	0.2444	0.1947
Echinococcus granulosus	thymidine kinase	0.0237	0.6422	0.6187
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0	0.5
Brugia malayi	carbohydrate phosphorylase	0.0105	0.2444	1
Entamoeba histolytica	glycogen phosphorylase, putative	0.0105	0.2444	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0617	0.2524
Mycobacterium tuberculosis	Probable cytidine deaminase Cdd (cytidine aminohydrolase) (cytidine nucleoside deaminase)	0.0055	0.0932	1
Echinococcus multilocularis	sodium:nucleoside cotransporter 2	0.0231	0.6262	0.6017
Echinococcus granulosus	glycogen phosphorylase	0.0105	0.2444	0.1947
Echinococcus multilocularis	concentrative Na+ nucleoside cotransporter	0.0355	1	1
Echinococcus multilocularis	transfer RNA-Ile	0.0237	0.6422	0.6187
Echinococcus granulosus	thymidine kinase	0.0237	0.6422	0.6187
Echinococcus granulosus	concentrative Na nucleoside cotransporter	0.0355	1	1
Echinococcus multilocularis	glycogen phosphorylase	0.0105	0.2444	0.1947
Mycobacterium ulcerans	cytidine deaminase	0.0055	0.0932	1
Schistosoma mansoni	hypothetical protein	0.0175	0.4553	0.678
Schistosoma mansoni	hypothetical protein	0.0175	0.4553	0.678
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0	0.5
Echinococcus multilocularis	thymidine kinase	0.0237	0.6422	0.6187
Echinococcus granulosus	geminin	0.0175	0.4553	0.4195
Schistosoma mansoni	glycogen phosphorylase	0.0046	0.0633	0.0028
Echinococcus multilocularis	cytidine deaminase	0.0055	0.0932	0.0336
Entamoeba histolytica	glycogen phosphorylase, putative	0.0105	0.2444	1
Loa Loa (eye worm)	glycogen phosphorylase	0.0105	0.2444	1
Schistosoma mansoni	thymidine kinase	0.0237	0.6422	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0617	0.2524
Echinococcus granulosus	cytidine deaminase	0.0055	0.0932	0.0336
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0237	0.6422	0.6187
Leishmania major	cytidine deaminase-like protein	0.0055	0.0932	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0105	0.2444	1
Toxoplasma gondii	cytidine and deoxycytidylate deaminase zinc-binding region domain-containing protein	0.0055	0.0932	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0105	0.2444	1
Chlamydia trachomatis	glycogen phosphorylase	0.0105	0.2444	0.5
Mycobacterium leprae	PROBABLE CYTIDINE DEAMINASE CDD (CYTIDINE AMINOHYDROLASE) (CYTIDINE NUCLEOSIDE DEAMINASE)	0.0055	0.0932	0.5
Trypanosoma cruzi	cytidine deaminase-like protein, putative	0.0055	0.0932	1
Echinococcus granulosus	Na+ dependent nucleoside transporter	0.0355	1	1
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0105	0.2444	1
Trypanosoma brucei	cytidine deaminase	0.0055	0.0932	1
Schistosoma mansoni	glycogen phosphorylase	0.0105	0.2444	0.3147
Trypanosoma cruzi	cytidine deaminase-like protein	0.0055	0.0932	1
Echinococcus multilocularis	solute carrier family 28	0.0355	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	0 uM	Compound was tested for inhibitory activity against HIV-1 protease; Not active	ChEMBL.	12067556

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 71440