Detailed information for compound 290092

Basic information

Technical information
  • TDR Targets ID: 290092
  • Name: methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl) ethyl]-4-(N-propanoylanilino)piperidine-4-car boxylate
  • MW: 456.535 | Formula: C24H32N4O5
  • H donors: 0 H acceptors: 4 LogP: 1.59 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1(CCN(CC1)CCn1ccc(=O)n(c1=O)CC)N(c1ccccc1)C(=O)CC
  • InChi: 1S/C24H32N4O5/c1-4-20(29)28(19-9-7-6-8-10-19)24(22(31)33-3)12-15-25(16-13-24)17-18-26-14-11-21(30)27(5-2)23(26)32/h6-11,14H,4-5,12-13,15-18H2,1-3H3
  • InChiKey: ZOWNWWSAMIXVRF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 1-[2-(3-ethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
  • 1-[2-(3-ethyl-2,4-dioxo-1-pyrimidinyl)ethyl]-4-[N-(1-oxopropyl)anilino]-4-piperidinecarboxylic acid methyl ester
  • methyl 1-[2-(3-ethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]-4-[phenyl(propanoyl)amino]piperidine-4-carboxylate
  • 1-[2-(3-ethyl-2,4-diketo-pyrimidin-1-yl)ethyl]-4-(N-propionylanilino)isonipecot methyl ester
  • methyl 1-[2-(3-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-4-(phenyl-propanoylamino)piperidine-4-carboxylate
  • methyl 1-[2-(3-ethyl-2,4-dioxo-pyrimidin-1-yl)ethyl]-4-(phenyl-propanoyl-amino)piperidine-4-carboxylate
  • 1-[2-(3-ethyl-2,4-dioxo-1-pyrimidinyl)ethyl]-4-(1-oxopropyl-phenylamino)-4-piperidinecarboxylic acid methyl ester
  • 1-[2-(3-ethyl-2,4-diketo-pyrimidin-1-yl)ethyl]-4-(phenyl-propionyl-amino)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
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 3.6265 1 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.1522 0.0411 0.5
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1522 0.0411 0.5
Loa Loa (eye worm) hypothetical protein 0.1522 0.0411 1
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1522 0.0411 1
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.1522 0.0411 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0044 0.0003 0.0082
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.1522 0.0411 0.5
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 1.3784 0.3796 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 0.0003 0.0082
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1522 0.0411 1
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.1522 0.0411 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 1.3784 0.3796 0.5
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0715 0.0189 0.4582
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1522 0.0411 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 3.6265 1 0.5
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1522 0.0411 0.5
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1522 0.0411 0.5
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1522 0.0411 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1522 0.0411 0.5
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.1522 0.0411 0.5
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.1522 0.0411 1
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1522 0.0411 0.5
Onchocerca volvulus 0.1522 0.0411 0.5
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 3.6265 1 0.5

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 2.67 mg kg-1 Analgesic activity at 1 min following injection at 1 mg/kg into the lateral tail vein of the rat (55 degree centigrade hot plate assay) ChEMBL. 1847432

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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