Detailed information for compound 1582553

Basic information

Technical information
  • TDR Targets ID: 1582553
  • Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(4- fluorophenyl)-4-oxobutanoate
  • MW: 335.37 | Formula: C18H22FNO4
  • H donors: 0 H acceptors: 3 LogP: 2.27 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C(=O)COC(=O)CCC(=O)c1ccc(cc1)F
  • InChi: 1S/C18H22FNO4/c1-13-8-10-20(11-9-13)17(22)12-24-18(23)7-6-16(21)14-2-4-15(19)5-3-14/h2-5,13H,6-12H2,1H3
  • InChiKey: AJIZOBIPYZHDNT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate
  • 4-(4-fluorophenyl)-4-oxobutanoic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
  • 4-(4-fluorophenyl)-4-keto-butyric acid [2-keto-2-(4-methyl-1-piperidyl)ethyl] ester
  • [2-(4-methylpiperidin-1-yl)-2-oxo-ethyl] 4-(4-fluorophenyl)-4-oxo-butanoate
  • ZINC03264366
  • T0510-5265

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 0.0069 0.043 0.043
Mycobacterium tuberculosis Conserved hypothetical protein 0.0352 0.5538 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0268 0.0268
Mycobacterium leprae probable zinc metalloprotease 0.0091 0.0831 0.1164
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0091 0.0831 0.1164
Echinococcus granulosus xaa pro aminopeptidase 0.0109 0.1153 0.6684
Mycobacterium ulcerans hypothetical protein 0.0352 0.5538 1
Trypanosoma cruzi aminopeptidase P1, putative 0.0109 0.1153 1
Echinococcus granulosus leucine aminopeptidase protein 0.0118 0.1312 1
Mycobacterium ulcerans hypothetical protein 0.0352 0.5538 1
Echinococcus multilocularis xaa pro aminopeptidase 0.0109 0.1153 0.6684
Echinococcus multilocularis leucine aminopeptidase protein 0.0118 0.1312 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0067 0.0401 0.0401
Leishmania major cytosolic leucyl aminopeptidase,metallo-peptidase, Clan MF, Family M17 0.007 0.0446 0.2012
Loa Loa (eye worm) peptidase family M13 containing protein 0.0067 0.0401 0.0401
Mycobacterium leprae Probable cytosol aminopeptidase PepB 0.0118 0.1312 0.2067
Loa Loa (eye worm) hypothetical protein 0.0067 0.0401 0.0401
Mycobacterium ulcerans leucyl aminopeptidase 0.0118 0.1312 0.2067
Loa Loa (eye worm) hypothetical protein 0.0069 0.043 0.043
Plasmodium falciparum aminopeptidase P 0.0109 0.1153 1
Onchocerca volvulus 0.0065 0.0354 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0091 0.0831 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0401 0.0401
Brugia malayi metallopeptidase family M24 containing protein 0.0109 0.1153 0.0351
Treponema pallidum aminopeptidase P 0.0109 0.1153 0.5
Toxoplasma gondii creatinase domain-containing protein 0.0109 0.1153 0.6684
Loa Loa (eye worm) hypothetical protein 0.0069 0.043 0.043
Entamoeba histolytica hypothetical protein, conserved 0.0352 0.5538 1
Wolbachia endosymbiont of Brugia malayi leucyl aminopeptidase 0.0118 0.1312 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.043 0.043
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24, putative 0.0109 0.1153 1
Toxoplasma gondii leucyl aminopeptidase LAP 0.0118 0.1312 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0091 0.0831 0.0831
Entamoeba histolytica aminopeptidase, putative 0.0109 0.1153 0.0316
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0599 1 1
Mycobacterium leprae conserved hypothetical protein 0.0352 0.5538 1
Mycobacterium ulcerans zinc metalloprotease 0.0091 0.0831 0.1164
Chlamydia trachomatis cytosol aminopeptidase 0.0118 0.1312 1
Mycobacterium tuberculosis Probable aminopeptidase PepB 0.0118 0.1312 0.2067
Trypanosoma brucei Xaa-Pro aminopeptidase, putative 0.0109 0.1153 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.0401 0.0401
Leishmania major aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24 0.0109 0.1153 1
Mycobacterium tuberculosis Conserved protein 0.0352 0.5538 1
Plasmodium vivax M17 leucyl aminopeptidase, putative 0.0118 0.1312 1
Loa Loa (eye worm) hypothetical protein 0.0091 0.0831 0.0831
Loa Loa (eye worm) hypothetical protein 0.0067 0.0401 0.0401
Loa Loa (eye worm) hypothetical protein 0.0091 0.0831 0.0831
Loa Loa (eye worm) hypothetical protein 0.0069 0.043 0.043

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.