Detailed information for compound 231367

Basic information

Technical information
  • TDR Targets ID: 231367
  • Name: 3-(2-methylpropyl)-3,6,7,7a-tetrahydro-1H-pyr rolo[1,2-a]imidazole-2,5-dione
  • MW: 196.246 | Formula: C10H16N2O2
  • H donors: 1 H acceptors: 2 LogP: 0.79 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC1C(=O)NC2N1C(=O)CC2)C
  • InChi: 1S/C10H16N2O2/c1-6(2)5-7-10(14)11-8-3-4-9(13)12(7)8/h6-8H,3-5H2,1-2H3,(H,11,14)
  • InChiKey: MFYVYJSUTRYPOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-isobutyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-dione
  • 3-isobutyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-a]imidazole-2,5-quinone
  • 3-(2-methylpropyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,5-a]imidazole-2,5-dione
  • 3-isobutyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,5-a]imidazole-2,5-dione
  • 3-isobutyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,5-a]imidazole-2,5-quinone

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 thioredoxin reductase 0.0096 1 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0096 1 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0055 0.4414 0.4414
Loa Loa (eye worm) glutathione reductase 0.0096 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0055 0.4414 0.4414
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0055 0.4414 0.5
Echinococcus granulosus calpain A 0.0061 0.5298 0.5298
Trypanosoma cruzi trypanothione reductase, putative 0.0096 1 1
Loa Loa (eye worm) calpain family protein 1 0.0043 0.2847 0.2847
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0055 0.4414 0.4414
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0055 0.4414 0.4414
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0061 0.5298 0.5298
Echinococcus multilocularis calpain A 0.0061 0.5298 0.5298
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0055 0.4414 0.5
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0055 0.4414 0.4414
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Plasmodium falciparum glutathione reductase 0.0096 1 1
Treponema pallidum NADH oxidase 0.0055 0.4414 0.5
Brugia malayi calpain family protein 1 0.0059 0.4939 0.4939
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0055 0.4414 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0061 0.5298 0.5298
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0055 0.4414 0.4414
Echinococcus multilocularis calpain family protein 1, d 0.0043 0.2847 0.2847
Loa Loa (eye worm) thioredoxin reductase 0.0096 1 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0055 0.4414 0.4414
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.4414 0.4414
Brugia malayi Thioredoxin reductase 0.0096 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0059 0.4939 0.4939
Loa Loa (eye worm) calpain family protein 1 0.0059 0.4939 0.4939
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0055 0.4414 0.4414
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.004 0.2448 0.2448
Plasmodium vivax thioredoxin reductase, putative 0.0096 1 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0061 0.5298 0.5298
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Echinococcus granulosus thioredoxin glutathione reductase 0.0096 1 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0055 0.4414 0.5
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0059 0.4939 0.4939
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0055 0.4414 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0096 1 1
Trichomonas vaginalis glutathione reductase, putative 0.0055 0.4414 0.5
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0055 0.4414 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0055 0.4414 0.5
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.004 0.2448 0.2448
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Onchocerca volvulus 0.0037 0.1947 0.5
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0055 0.4414 0.4414
Plasmodium falciparum thioredoxin reductase 0.0096 1 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0061 0.5298 0.5298
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Plasmodium vivax glutathione reductase, putative 0.0096 1 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0055 0.4414 0.4414
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0055 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0037 0.1947 0.1947
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0055 0.4414 0.4414
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0055 0.4414 0.4414
Leishmania major trypanothione reductase 0.0096 1 1
Brugia malayi calpain family protein 1 0.0059 0.4939 0.4939
Loa Loa (eye worm) hypothetical protein 0.0043 0.2847 0.2847
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0055 0.4414 0.4414
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0055 0.4414 0.4414
Loa Loa (eye worm) hypothetical protein 0.0052 0.404 0.404
Trichomonas vaginalis mercuric reductase, putative 0.0055 0.4414 0.5
Trypanosoma brucei trypanothione reductase 0.0096 1 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0055 0.4414 0.5

Activities

Activity type Activity value Assay description Source Reference
Reversal (functional) = 0 % Percent reversal of scopalamine-induced amnesia rat following 10 mg/kg i.p. ChEMBL. 8277504
Reversal (functional) = 3 % Percent reversal of scopalamine-induced amnesia rat following 1.0 mg/kg i.p. ChEMBL. 8277504

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

1 literature reference was collected for this gene.

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