Detailed information for compound 1637047

Basic information

Technical information
  • TDR Targets ID: 1637047
  • Name: (6E)-2-(dimethylaminomethyl)-6-(phenylmethyli dene)cyclohexan-1-one
  • MW: 243.344 | Formula: C16H21NO
  • H donors: 0 H acceptors: 1 LogP: 3.07 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC1CCC/C(=C\c2ccccc2)/C1=O)C
  • InChi: 1S/C16H21NO/c1-17(2)12-15-10-6-9-14(16(15)18)11-13-7-4-3-5-8-13/h3-5,7-8,11,15H,6,9-10,12H2,1-2H3/b14-11+
  • InChiKey: NMUPYXWTUNJHMK-SDNWHVSQSA-N  

Network

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Synonyms

  • 2-(dimethylaminomethyl)-6-(phenylmethylidene)cyclohexan-1-one
  • (6E)-2-(dimethylaminomethyl)-6-(phenylmethylene)cyclohexan-1-one
  • 2-(dimethylaminomethyl)-6-(phenylmethylene)cyclohexan-1-one
  • (6E)-2-(dimethylaminomethyl)-6-(phenylmethylene)-1-cyclohexanone
  • 2-(dimethylaminomethyl)-6-(phenylmethylene)-1-cyclohexanone
  • (2E)-2-(benzylidene)-6-(dimethylaminomethyl)cyclohexan-1-one
  • 2-(benzylidene)-6-(dimethylaminomethyl)cyclohexan-1-one
  • NCI60_024383

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
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2437 0.296 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2858 0.3619 0.6413
Trichomonas vaginalis conserved hypothetical protein 0.104 0.077 0.0138
Trypanosoma brucei GAF domain/TIP41-like family, putative 0.2437 0.296 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.146 0.1429 0.8136
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Plasmodium falciparum GAF domain-related protein, putative 0.1 0.0707 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.1669 0.1757 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.3897 0.5248 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.3897 0.5248 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.693 1 1
Plasmodium vivax hypothetical protein, conserved 0.1 0.0707 0.5
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.3437 0.4526 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.146 0.1429 0.159
Loa Loa (eye worm) hypothetical protein 0.693 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.146 0.1429 0.159
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0862 0.0492 0.2801
Mycobacterium leprae conserved hypothetical protein 0.1 0.0707 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.146 0.1429 0.159
Toxoplasma gondii GAF domain-containing protein 0.1 0.0707 0.9187
Trichomonas vaginalis conserved hypothetical protein 0.3897 0.5248 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.3897 0.5248 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.142 0.1367 0.1452
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.142 0.1367 0.1452
Trypanosoma cruzi GAF domain/TIP41-like family, putative 0.2437 0.296 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.2858 0.3619 0.6413
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Toxoplasma gondii hypothetical protein 0.1 0.0707 0.9187
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.146 0.1429 0.8136
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.146 0.1429 0.1429
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis conserved hypothetical protein 0.104 0.077 0.0138
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.146 0.1429 0.159
Leishmania major hypothetical protein, conserved 0.2437 0.296 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0862 0.0492 0.2801
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.142 0.1367 0.1452
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Toxoplasma gondii hypothetical protein 0.1 0.0707 0.9187
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.3437 0.4526 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.146 0.1429 0.159
Trichomonas vaginalis conserved hypothetical protein 0.104 0.077 0.0138
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.146 0.1429 0.159
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.1669 0.1757 1
Toxoplasma gondii hypothetical protein 0.104 0.077 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.146 0.1429 0.159
Mycobacterium tuberculosis Conserved hypothetical protein 0.2437 0.296 0.5898

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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