Detailed information for compound 864200

Basic information

Technical information
  • TDR Targets ID: 864200
  • Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-pyridin- 3-yl-N-(pyridin-3-ylmethyl)quinoline-4-carbox amide
  • MW: 501.6 | Formula: C27H27N5O3S
  • H donors: 1 H acceptors: 6 LogP: 2.91 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)c(cc(n2)c1cccnc1)C(=O)NCc1cccnc1
  • InChi: 1S/C27H27N5O3S/c1-19-8-12-32(13-9-19)36(34,35)22-6-7-25-23(14-22)24(15-26(31-25)21-5-3-11-29-18-21)27(33)30-17-20-4-2-10-28-16-20/h2-7,10-11,14-16,18-19H,8-9,12-13,17H2,1H3,(H,30,33)
  • InChiKey: QFWSEMHRSQJYQB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)-N-(3-pyridylmethyl)quinoline-4-carboxamide
  • 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridyl)-N-(3-pyridylmethyl)-4-quinolinecarboxamide
  • 6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)-N-(3-pyridylmethyl)cinchoninamide

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
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.1018 0.1018
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Toxoplasma gondii GAF domain-containing protein 0.0018 0.0132 0.0132
Toxoplasma gondii hypothetical protein 0.0018 0.0132 0.0132
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0025 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0025 0.0254 0.0254
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0571 1 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0025 0.0254 0.0254
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0025 0.0254 0.0254
Loa Loa (eye worm) hypothetical protein 0.0193 0.3261 0.3261
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0571 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Echinococcus multilocularis transcription factor Dp 1 0.0039 0.0512 0.0512
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Mycobacterium ulcerans putative regulatory protein 0.0018 0.0132 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0025 0.0254 0.0254
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.1018 0.0784
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0571 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0571 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0018 0.0132 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0218 0.3698 0.3698
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0571 1 1
Toxoplasma gondii hypothetical protein 0.0018 0.0132 0.0132
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0018 0.0132 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1018 0.0784
Brugia malayi N-terminal motif family protein 0.0209 0.3536 0.3536
Mycobacterium leprae conserved hypothetical protein 0.0018 0.0132 0.5
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0018 0.0132 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1018 0.0784
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0571 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0218 0.3698 0.3698
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0571 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0254 0.0123
Toxoplasma gondii hypothetical protein 0.0018 0.0132 0.0132
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Mycobacterium ulcerans putative regulatory protein 0.0018 0.0132 0.5
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0218 0.3698 0.3698
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0571 1 1
Echinococcus granulosus transcription factor Dp 1 0.0039 0.0512 0.0512
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.1018 0.1018
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.1018 0.0784
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0571 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Loa Loa (eye worm) hypothetical protein 0.0209 0.3536 0.3536
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0571 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.1018 0.1018
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0571 1 1
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.1018 0.1018
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.1018 0.1018
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0209 0.3536 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0571 1 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0571 1 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0571 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0571 1 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0571 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0025 0.0254 0.0123
Loa Loa (eye worm) hypothetical protein 0.0211 0.3577 0.3577
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0025 0.0254 0.0254
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0025 0.0254 0.0123
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0025 0.0254 0.0123

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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