Detailed information for compound 2071533

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 310.455 | Formula: C16H26N2O2S
  • H donors: 0 H acceptors: 2 LogP: 3.25 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCN(CC1)Cc1csc(n1)C(C)(C)C
  • InChi: 1S/C16H26N2O2S/c1-5-20-14(19)12-6-8-18(9-7-12)10-13-11-21-15(17-13)16(2,3)4/h11-12H,5-10H2,1-4H3
  • InChiKey: NKAQIGANEMTFPR-UHFFFAOYSA-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
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0146 0.2803 0.2803
Echinococcus multilocularis thioredoxin glutathione reductase 0.0421 1 1
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0146 0.2803 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Plasmodium falciparum thioredoxin reductase 0.0146 0.2803 0.2803
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Echinococcus granulosus tm gpcr rhodopsin 0.0387 0.9108 0.9108
Entamoeba histolytica thioredoxin reductase, putative 0.0039 0 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Trypanosoma brucei trypanothione reductase 0.0421 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0107 0.179 0.179
Plasmodium falciparum glutathione reductase 0.0421 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0146 0.2803 1
Leishmania major trypanothione reductase 0.0421 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Trichomonas vaginalis glutathione reductase, putative 0.0146 0.2803 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0146 0.2803 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0146 0.2803 0.2803
Trypanosoma cruzi trypanothione reductase, putative 0.0421 1 1
Toxoplasma gondii NADPH-glutathione reductase 0.0146 0.2803 0.2803
Toxoplasma gondii thioredoxin reductase 0.0421 1 1
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0107 0.179 0.179
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0146 0.2803 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0146 0.2803 0.2803
Plasmodium falciparum thioredoxin reductase 0.0421 1 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0146 0.2803 0.2803
Brugia malayi Thioredoxin reductase 0.0421 1 1
Plasmodium vivax thioredoxin reductase, putative 0.0421 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0146 0.2803 0.2803
Entamoeba histolytica disulphide oxidoreductase, putative 0.0039 0 0.5
Entamoeba histolytica NAD(FAD)-dependent dehydrogenase, putative 0.0039 0 0.5
Plasmodium vivax glutathione reductase, putative 0.0421 1 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0146 0.2803 0.2803
Mycobacterium tuberculosis Probable oxidoreductase 0.0146 0.2803 0.2803
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0039 0 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0146 0.2803 0.2803
Onchocerca volvulus 0.0039 0 0.5
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0146 0.2803 0.2803
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0146 0.2803 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0146 0.2803 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0146 0.2803 0.2803
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0146 0.2803 0.2803
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0146 0.2803 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0146 0.2803 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0146 0.2803 0.2803
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0146 0.2803 0.2803
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0146 0.2803 0.2803
Echinococcus granulosus thioredoxin glutathione reductase 0.0421 1 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0387 0.9108 0.9108
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0146 0.2803 1
Loa Loa (eye worm) glutathione reductase 0.0421 1 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0421 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Entamoeba histolytica pyridine nucleotide-disulfide oxidoreductase family protein 0.0039 0 0.5
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0146 0.2803 0.2803
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0039 0 0.5
Treponema pallidum NADH oxidase 0.0146 0.2803 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0146 0.2803 0.2803
Entamoeba histolytica glutamate synthase beta subunit, putative 0.0039 0 0.5
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0146 0.2803 0.2803
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0146 0.2803 0.2803
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0146 0.2803 0.2803
Loa Loa (eye worm) thioredoxin reductase 0.0421 1 1
Plasmodium falciparum glutathione reductase 0.0146 0.2803 0.2803
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0146 0.2803 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0146 0.2803 1
Trichomonas vaginalis mercuric reductase, putative 0.0146 0.2803 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0146 0.2803 0.2803

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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