Detailed information for compound 1316358

Basic information

Technical information
  • TDR Targets ID: 1316358
  • Name: 5-oxo-5-[[4-(piperidine-1-carbonyl)phenyl]ami no]pentanoic acid
  • MW: 318.368 | Formula: C17H22N2O4
  • H donors: 2 H acceptors: 4 LogP: 1.19 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(=O)N1CCCCC1)CCCC(=O)O
  • InChi: 1S/C17H22N2O4/c20-15(5-4-6-16(21)22)18-14-9-7-13(8-10-14)17(23)19-11-2-1-3-12-19/h7-10H,1-6,11-12H2,(H,18,20)(H,21,22)
  • InChiKey: FHECIBOLTZDLFJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 5-oxo-5-[[4-[oxo-(1-piperidyl)methyl]phenyl]amino]pentanoic acid
  • 5-keto-5-[[4-(piperidine-1-carbonyl)phenyl]amino]valeric acid
  • 5-oxo-5-[(4-piperidin-1-ylcarbonylphenyl)amino]pentanoic acid
  • 4-[4-(Piperidine-1-carbonyl)-phenylcarbamoyl]-butyric acid
  • BAS 05497180
  • 5-oxo-5-{[4-(1-piperidinylcarbonyl)phenyl]amino}pentanoic acid
  • MLS000088969
  • SMR000073239

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0083 0.2817 0.5
Mycobacterium tuberculosis Possible lysophospholipase 0.0083 0.2817 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0027 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0083 0.2817 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.2817 0.5
Plasmodium vivax PST-A protein 0.0083 0.2817 1
Trypanosoma cruzi monoglyceride lipase, putative 0.0083 0.2817 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0083 0.2817 0.5
Loa Loa (eye worm) hypothetical protein 0.0226 1 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0027 0 0.5
Mycobacterium ulcerans lysophospholipase 0.0083 0.2817 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0226 1 1
Plasmodium falciparum esterase, putative 0.0083 0.2817 1
Mycobacterium ulcerans hypothetical protein 0.0083 0.2817 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0226 1 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0083 0.2817 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0226 1 1
Plasmodium falciparum lysophospholipase, putative 0.0083 0.2817 1
Trypanosoma brucei monoglyceride lipase, putative 0.0083 0.2817 1
Schistosoma mansoni amidase 0.0226 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0083 0.2817 0.5
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0027 0 0.5
Plasmodium falciparum lysophospholipase, putative 0.0083 0.2817 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0226 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0083 0.2817 0.5
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0083 0.2817 1
Trichomonas vaginalis conserved hypothetical protein 0.0083 0.2817 0.5
Trypanosoma brucei monoglyceride lipase, putative 0.0083 0.2817 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0083 0.2817 0.5
Leishmania major monoglyceride lipase, putative 0.0083 0.2817 1
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0083 0.2817 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0226 1 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0083 0.2817 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.2387 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference

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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