Detailed information for compound 1812229

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 371.228 | Formula: C18H15BrN2O2
  • H donors: 0 H acceptors: 2 LogP: 4.46 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnn(c1c1ccccc1)c1ccccc1Br
  • InChi: 1S/C18H15BrN2O2/c1-2-23-18(22)14-12-20-21(16-11-7-6-10-15(16)19)17(14)13-8-4-3-5-9-13/h3-12H,2H2,1H3
  • InChiKey: BSUFLVKIHAYNLU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Trichomonas vaginalis conserved hypothetical protein 0.0142 0.0118 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0142 0.0118 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Schistosoma mansoni beta-catenin 0.0193 0.0564 0.1877
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.0142 0.0118 0.0122
Echinococcus multilocularis beta catenin 0.0193 0.0564 0.0564
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0142 0.0118 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0142 0.0118 0.5
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0193 0.0564 0.0564
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0142 0.0118 0.0392
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0142 0.0118 0.0118
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Loa Loa (eye worm) HMP-2 protein 0.0193 0.0564 0.0584
Onchocerca volvulus Cirhin homolog 0.0192 0.0552 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.1266 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Echinococcus granulosus hypothetical protein 0.0598 0.4127 0.4127
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.1123 0.8746 0.9063
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0142 0.0118 0.0392
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Schistosoma mansoni hypothetical protein 0.047 0.3002 1
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.1266 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0142 0.0118 0.5
Echinococcus granulosus beta catenin 0.0193 0.0564 0.0564
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0142 0.0118 0.0118
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0142 0.0118 0.0118
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Loa Loa (eye worm) hypothetical protein 0.1226 0.9651 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0142 0.0118 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0142 0.0118 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 1.6125 ug ml-1 Antibacterial activity against Escherichia coli after 16 hr by serial dilution method 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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