Detailed information for compound 268719

Basic information

Technical information
  • TDR Targets ID: 268719
  • Name: methyl 1-(4-aminohex-5-enoyl)piperidine-4-car boxylate
  • MW: 254.325 | Formula: C13H22N2O3
  • H donors: 1 H acceptors: 2 LogP: 0.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1CCN(CC1)C(=O)CCC(C=C)N
  • InChi: 1S/C13H22N2O3/c1-3-11(14)4-5-12(16)15-8-6-10(7-9-15)13(17)18-2/h3,10-11H,1,4-9,14H2,2H3
  • InChiKey: QIRUJVYGLHYPSW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-amino-1-oxohex-5-enyl)-4-piperidinecarboxylic acid methyl ester
  • methyl 1-(4-azanylhex-5-enoyl)piperidine-4-carboxylate
  • 1-(4-aminohex-5-enoyl)isonipecot methyl ester
  • 1-(4-aminohex-5-enoyl)isonipecotic acid methyl ester

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
Loa Loa (eye worm) hypothetical protein 0.0387 0.0096 0.0175
Echinococcus granulosus ryanodine receptor 44f 0.1649 0.7672 1
Echinococcus multilocularis ryanodine receptor 44f 0.1649 0.7672 1
Loa Loa (eye worm) hypothetical protein 0.1286 0.5494 1
Loa Loa (eye worm) ryanodine receptor 0.0481 0.0655 0.1193
Echinococcus multilocularis ryanodine receptor 44f 0.1286 0.5494 0.7105
Echinococcus granulosus ryanodine receptor 44f 0.1286 0.5494 0.7105
Schistosoma mansoni ryanodine receptor related 0.2036 1 1
Leishmania major hypothetical protein, conserved 0.0499 0.0767 0.5
Echinococcus granulosus microtubule associated protein 2 0.0732 0.2166 0.2682
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0734 0.2179 0.5
Echinococcus multilocularis microtubule associated protein 2 0.0732 0.2166 0.2682
Loa Loa (eye worm) ryanodine receptor 0.0761 0.2338 0.4255
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0734 0.2179 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0732 0.2166 0.1498
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0622 0.1508 0.0785

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 0.15 mM kg-1 Effective dose required for anticonvulsive activity of the compound in bicuculline (BIC) test ChEMBL. 10762036
ED50 (functional) = 0.15 mM kg-1 Effective dose required for anticonvulsive activity of the compound in bicuculline (BIC) test ChEMBL. 10762036
ED50 (functional) = 0.26 mM kg-1 Anticonvulsive activity in picrotoxin (PCR) induced seizure test ChEMBL. 10762036
ED50 (functional) = 0.26 mM kg-1 Anticonvulsive activity in picrotoxin (PCR) induced seizure test ChEMBL. 10762036
ED50 (functional) = 0.32 mM kg-1 Effective dose required for anticonvulsive activity of the compound in pentylenetetrazole (PTZ) test ChEMBL. 10762036
ED50 (functional) = 0.32 mM kg-1 Effective dose required for anticonvulsive activity of the compound in pentylenetetrazole (PTZ) test ChEMBL. 10762036
ED50 (functional) > 0.54 mM kg-1 Effective dose required for anticonvulsive activity of the compound in maximal electroshock seizure (MES) test ChEMBL. 10762036
ED50 (functional) > 0.54 mM kg-1 Effective dose required for anticonvulsive activity of the compound in maximal electroshock seizure (MES) test ChEMBL. 10762036
No. of mice protected (functional) = 0 Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 9 hr at 100 mg/kg in 4 mice ChEMBL. 10762036
No. of mice protected (functional) = 0 Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 16 hr at 100 mg/kg in 4 mice ChEMBL. 10762036
No. of mice protected (functional) = 2 Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 3 hr at 100 mg/kg in 4 mice ChEMBL. 10762036
No. of mice protected (functional) = 2 Protection from picrotoxin-induced (0.27 mmol/kg) convulsion over 6 hr at 100 mg/kg in 4 mice ChEMBL. 10762036

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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