Detailed information for compound 579843

Basic information

Technical information
  • TDR Targets ID: 579843
  • Name: methyl 4-(N-propanoylanilino)-1-[2-(2-thienyl )ethyl]piperidine-4-carboxylate; oxalic acid
  • MW: 490.569 | Formula: C24H30N2O7S
  • H donors: 2 H acceptors: 6 LogP: 1.2 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(=O)O.COC(=O)C1(CCN(CC1)CCc1cccs1)N(c1ccccc1)C(=O)CC
  • InChi: 1S/C22H28N2O3S.C2H2O4/c1-3-20(25)24(18-8-5-4-6-9-18)22(21(26)27-2)12-15-23(16-13-22)14-11-19-10-7-17-28-19;3-1(4)2(5)6/h4-10,17H,3,11-16H2,1-2H3;(H,3,4)(H,5,6)
  • InChiKey: BABZHNGIRGHXSO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • oxalic acid; 4-[N-(1-oxopropyl)anilino]-1-[2-(2-thienyl)ethyl]-4-piperidinecarboxylic acid methyl ester
  • ethanedioic acid; methyl 4-[phenyl(propanoyl)amino]-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate
  • oxalic acid; 4-(N-propionylanilino)-1-[2-(2-thienyl)ethyl]isonipecot methyl ester
  • methyl 4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate; oxalic acid
  • thiofentanil oxalate
  • methyl 4-(phenyl-propanoylamino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate; oxalic acid
  • methyl 4-(phenyl-propanoyl-amino)-1-[2-(2-thienyl)ethyl]piperidine-4-carboxylate; oxalic acid
  • oxalic acid; 4-(1-oxopropyl-phenylamino)-1-[2-(2-thienyl)ethyl]-4-piperidinecarboxylic acid methyl ester
  • oxalic acid; 4-(phenyl-propionyl-amino)-1-[2-(2-thienyl)ethyl]isonipecotic acid methyl ester
  • ethanedioic acid; methyl 4-(phenyl-propanoyl-amino)-1-(2-thiophen-2-ylethyl)piperidine-4-carboxylate
  • 61086-45-1
  • 73005-06-8
  • 4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, ethanedioate (1:1)
  • 4-Piperidinecarboxylic acid, 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-, methyl ester, ethanedioate
  • Methyl 4-((1-oxopropyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate ethanedioate

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
Schistosoma mansoni sodium/chloride dependent transporter 1.0607 1 1
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.1801 0 0.5
Plasmodium vivax amine transporter, putative 0.1801 0 0.5
Toxoplasma gondii hypothetical protein 0.1801 0 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 1.0607 1 1
Loa Loa (eye worm) hypothetical protein 1.0607 1 1
Echinococcus granulosus serotonin transporter 1.0607 1 1
Loa Loa (eye worm) hypothetical protein 1.0607 1 1
Echinococcus multilocularis serotonin transporter 1.0607 1 1
Plasmodium vivax hypothetical protein, conserved 0.1801 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.1801 0 0.5
Plasmodium falciparum transporter, putative 0.1801 0 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 1.0607 1 1
Plasmodium falciparum amino acid transporter, putative 0.1801 0 0.5
Onchocerca volvulus 1.0607 1 1
Loa Loa (eye worm) hypothetical protein 1.0607 1 1
Toxoplasma gondii hypothetical protein 0.1801 0 0.5
Loa Loa (eye worm) norepinephrine transporter 1.0607 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.1801 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.1801 0 0.5
Treponema pallidum sodium- and chloride- dependent transporter 1.0607 1 0.5
Loa Loa (eye worm) serotonin transporter b 1.0607 1 1

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.

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