Detailed information for compound 27357

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 313.308 | Formula: C16H15N3O4
  • H donors: 2 H acceptors: 4 LogP: 1.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cnc2c(c1O)ccc(c2)C1=NNC(=O)CC1
  • InChi: 1S/C16H15N3O4/c1-2-23-16(22)11-8-17-13-7-9(3-4-10(13)15(11)21)12-5-6-14(20)19-18-12/h3-4,7-8H,2,5-6H2,1H3,(H,17,21)(H,19,20)
  • InChiKey: HDBDUNBYKSJZLL-UHFFFAOYSA-N  

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 high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.135 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1305 0.9533 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1305 0.9533 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis conserved hypothetical protein 0.135 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1305 0.9533 1
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.7738 0.7614
Toxoplasma gondii hypothetical protein 0.0421 0.0516 0.0667
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0371 0 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0597 0.2312 0.2425
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0884 0.5236 0.4977
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0597 0.2312 0.1894
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Loa Loa (eye worm) hypothetical protein 0.0672 0.3078 0.9141
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0672 0.3078 0.7259
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.07 0.3367 0.3532
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1305 0.9533 0.9508
Plasmodium vivax hypothetical protein, conserved 0.0421 0.0516 0.5
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.07 0.3367 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0597 0.2312 0.1894
Loa Loa (eye worm) hypothetical protein 0.0496 0.1282 0.3807
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.7738 0.7614
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis conserved hypothetical protein 0.1129 0.7738 0.7614
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Plasmodium falciparum GAF domain-related protein, putative 0.0421 0.0516 0.5
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0467 0.0983 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Mycobacterium leprae conserved hypothetical protein 0.0421 0.0516 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.135 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Toxoplasma gondii hypothetical protein 0.1129 0.7738 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0467 0.0983 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1305 0.9533 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1305 0.9533 0.9508
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1305 0.9533 0.9508
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0597 0.2312 0.2425
Loa Loa (eye worm) hypothetical protein 0.0421 0.0516 0.1533
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1305 0.9533 1
Toxoplasma gondii hypothetical protein 0.0421 0.0516 0.0667
Toxoplasma gondii GAF domain-containing protein 0.0421 0.0516 0.0667
Loa Loa (eye worm) hypothetical protein 0.07 0.3367 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1305 0.9533 0.9508
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1305 0.9533 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0884 0.5236 0.4977
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1305 0.9533 0.9508
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1305 0.9533 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0597 0.2312 0.1894
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1305 0.9533 0.9508
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1305 0.9533 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 69 % Compound was evaluated for microM ChEMBL. No reference
MIC (functional) = 50 ug ml-1 In vitro minimum inhibitory concentration of the compound against Trichophyton mentagrophytes 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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