Detailed information for compound 1742113

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 276.286 | Formula: C11H20N2O6
  • H donors: 4 H acceptors: 5 LogP: -3.53 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC([C@@H](C(=O)OC)NC(=O)[C@@H](CC(=O)O)N)O
  • InChi: 1S/C11H20N2O6/c1-3-4-7(14)9(11(18)19-2)13-10(17)6(12)5-8(15)16/h6-7,9,14H,3-5,12H2,1-2H3,(H,13,17)(H,15,16)/t6-,7?,9+/m1/s1
  • InChiKey: WVFHKKPEMSBQKT-YUTBPMSOSA-N  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus mitogen activated protein kinase 0.0155 0.4458 0.4458
Brugia malayi FAD binding domain containing protein 0.0305 1 1
Trypanosoma brucei protein kinase, putative 0.0155 0.4458 0.4458
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0305 1 1
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0117 0.3033 0.3033
Leishmania major cytochrome P450 reductase, putative 0.0271 0.8717 0.8717
Giardia lamblia Kinase, CMGC MAPK 0.0155 0.4458 0.5114
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0155 0.4458 0.4458
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0117 0.3033 0.3033
Entamoeba histolytica type A flavoprotein, putative 0.0117 0.3033 0.5
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0035 0 0.5
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0102 0.2487 0.2487
Entamoeba histolytica type A flavoprotein, putative 0.0117 0.3033 0.5
Entamoeba histolytica type A flavoprotein, putative 0.0117 0.3033 0.5
Leishmania major hypothetical protein, conserved 0.0117 0.3033 0.3033
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0155 0.4458 0.4458
Chlamydia trachomatis sulfite reductase 0.0189 0.5684 1
Loa Loa (eye worm) hypothetical protein 0.0305 1 1
Onchocerca volvulus 0.0035 0 0.5
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0117 0.3033 0.3033
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0305 1 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0102 0.2487 0.2487
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.4458 0.2046
Echinococcus multilocularis methionine synthase reductase 0.0189 0.5684 0.5684
Echinococcus granulosus mitogen activated protein kinase 3 0.0155 0.4458 0.4458
Toxoplasma gondii flavodoxin domain-containing protein 0.0151 0.4316 0.968
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0155 0.4458 0.4458
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0305 1 1
Mycobacterium tuberculosis Possible oxygenase 0.0035 0 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0305 1 1
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0155 0.4458 0.4458
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0102 0.2487 0.2487
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.4458 0.2046
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0155 0.4458 0.4458
Schistosoma mansoni serine/threonine protein kinase 0.0155 0.4458 0.4458
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0155 0.4458 0.4458
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0155 0.4458 0.4458
Loa Loa (eye worm) FAD binding domain-containing protein 0.0305 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0117 0.3033 0.5
Mycobacterium tuberculosis Hypothetical oxidoreductase 0.0035 0 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0305 1 1
Schistosoma mansoni diflavin oxidoreductase 0.0151 0.4316 0.4316
Plasmodium falciparum nitric oxide synthase, putative 0.0305 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0305 1 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0189 0.5684 0.5684
Trypanosoma cruzi p450 reductase, putative 0.0305 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.2487 0.2487
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0305 1 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0154 0.4402 0.4402
Giardia lamblia Nitric oxide synthase, inducible 0.0271 0.8717 1
Giardia lamblia Hypothetical protein 0.0271 0.8717 1
Brugia malayi FAD binding domain containing protein 0.0189 0.5684 0.5684
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0088 0.1958 0.1958
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0305 1 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0305 1 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0117 0.3033 0.3033
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0155 0.4458 0.4458
Loa Loa (eye worm) FAD binding domain-containing protein 0.0189 0.5684 0.5684
Echinococcus multilocularis mitogen activated protein kinase 3 0.0155 0.4458 0.4458
Mycobacterium tuberculosis Probable monooxygenase 0.0035 0 0.5
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0117 0.3033 0.3033
Giardia lamblia Kinase, AGC AKT 0.0088 0.1958 0.2246
Loa Loa (eye worm) flavodoxin family protein 0.0117 0.3033 0.3033
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0155 0.4458 1
Plasmodium vivax flavodoxin domain containing protein 0.0271 0.8717 0.8717
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0088 0.1958 0.1958
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0271 0.8717 0.8159
Echinococcus granulosus methionine synthase reductase 0.0189 0.5684 0.5684
Schistosoma mansoni cytochrome P450 reductase 0.0305 1 1
Echinococcus multilocularis mitogen activated protein kinase 0.0155 0.4458 0.4458
Leishmania major p450 reductase, putative 0.0305 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0305 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.4458 0.2046
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0305 1 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0305 1 1
Entamoeba histolytica type A flavoprotein, putative 0.0117 0.3033 0.5
Plasmodium vivax hypothetical protein, conserved 0.0117 0.3033 0.3033
Brugia malayi flavodoxin family protein 0.0117 0.3033 0.3033
Toxoplasma gondii flavodoxin domain-containing protein 0.0151 0.4316 0.968
Treponema pallidum flavodoxin 0.0117 0.3033 1
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0117 0.3033 0.3033
Brugia malayi MAP kinase sur-1 0.0155 0.4458 0.4458
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0305 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0305 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0155 0.4458 0.2046
Mycobacterium tuberculosis Probable oxidoreductase 0.0035 0 0.5
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0305 1 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

Bibliographic References

No literature references available for this target.

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