Detailed information for compound 1169698

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 162.187 | Formula: C6H14N2O3
  • H donors: 5 H acceptors: 3 LogP: -1.53 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]1NN[C@@H]([C@H]([C@H]1O)O)C
  • InChi: 1S/C6H14N2O3/c1-3-5(10)6(11)4(2-9)8-7-3/h3-11H,2H2,1H3/t3-,4+,5-,6+/m1/s1
  • InChiKey: YGQJXERJMPAZGC-MOJAZDJTSA-N  

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
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0167 0.1296
Loa Loa (eye worm) hypothetical protein 0.0404 1 1
Trichomonas vaginalis mercuric reductase, putative 0.0024 0.0126 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0167 0.1296
Plasmodium falciparum thioredoxin reductase 0.0069 0.129 1
Entamoeba histolytica hypothetical protein 0.0036 0.0449 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0024 0.0126 0.0976
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0069 0.129 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0167 0.1296
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0024 0.0126 0.0976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0024 0.0126 1
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0024 0.0126 0.0976
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0024 0.0126 0.0976
Plasmodium falciparum glutathione reductase 0.0069 0.129 1
Trypanosoma cruzi trypanothione reductase, putative 0.0069 0.129 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0024 0.0126 0.032
Loa Loa (eye worm) thioredoxin reductase 0.0069 0.129 0.129
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0024 0.0126 0.0976
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0024 0.0126 0.0976
Toxoplasma gondii thioredoxin reductase 0.0069 0.129 1
Trichomonas vaginalis glutathione reductase, putative 0.0024 0.0126 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0167 0.0167
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Schistosoma mansoni hypothetical protein 0.0171 0.3936 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0024 0.0126 0.0976
Leishmania major trypanothione reductase 0.0069 0.129 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0024 0.0126 0.0976
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0024 0.0126 0.032
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0449 0.114
Brugia malayi hypothetical protein 0.0036 0.0449 0.0449
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0024 0.0126 0.0976
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0024 0.0126 0.032
Loa Loa (eye worm) glutathione reductase 0.0069 0.129 0.129
Entamoeba histolytica hypothetical protein 0.0036 0.0449 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0167 0.1296
Plasmodium falciparum glutathione reductase 0.0024 0.0126 0.0976
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0024 0.0126 0.0976
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0024 0.0126 1
Entamoeba histolytica hypothetical protein 0.0036 0.0449 1
Entamoeba histolytica hypothetical protein 0.0036 0.0449 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Treponema pallidum NADH oxidase 0.0024 0.0126 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0024 0.0126 0.0976
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0024 0.0126 1
Brugia malayi hypothetical protein 0.0025 0.0167 0.0167
Brugia malayi Fibroblast growth factor family protein 0.0404 1 1
Trypanosoma brucei trypanothione reductase 0.0069 0.129 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0167 0.1296
Trypanosoma cruzi trypanothione reductase, putative 0.0024 0.0126 0.0976
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0024 0.0126 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0167 0.1296
Echinococcus multilocularis geminin 0.0171 0.3936 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Leishmania major hypothetical protein, conserved 0.0025 0.0167 0.1296
Plasmodium falciparum thioredoxin reductase 0.0024 0.0126 0.0976
Loa Loa (eye worm) hypothetical protein 0.0129 0.286 0.286
Brugia malayi Thioredoxin reductase 0.0069 0.129 0.129
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0449 0.114
Brugia malayi glutathione reductase 0.0069 0.129 0.129
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0024 0.0126 0.0976
Loa Loa (eye worm) hypothetical protein 0.0404 1 1
Schistosoma mansoni hypothetical protein 0.0171 0.3936 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0024 0.0126 0.5
Giardia lamblia Hypothetical protein 0.0404 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0024 0.0126 0.0976
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0449 0.114
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0024 0.0126 0.0126
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0024 0.0126 0.0976
Mycobacterium tuberculosis Probable oxidoreductase 0.0024 0.0126 0.0976
Giardia lamblia NADH oxidase lateral transfer candidate 0.0024 0.0126 0.0126
Echinococcus multilocularis thioredoxin glutathione reductase 0.0069 0.129 0.3278
Echinococcus granulosus geminin 0.0171 0.3936 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0024 0.0126 1
Plasmodium vivax glutathione reductase, putative 0.0069 0.129 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0024 0.0126 1
Schistosoma mansoni hypothetical protein 0.0036 0.0449 0.114
Brugia malayi Protein kinase domain containing protein 0.0129 0.286 0.286
Plasmodium vivax thioredoxin reductase, putative 0.0069 0.129 1
Toxoplasma gondii NADPH-glutathione reductase 0.0024 0.0126 0.0976
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0167 0.1296
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0024 0.0126 0.0976
Echinococcus granulosus thioredoxin glutathione reductase 0.0069 0.129 0.3278
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0024 0.0126 0.0976
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0024 0.0126 0.0976

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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