Detailed information for compound 25127

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 334.299 | Formula: C15H13F3N6
  • H donors: 0 H acceptors: 3 LogP: 3.17 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(/C=N/c1nn2c(n1)ccnc2c1cccc(c1)C(F)(F)F)C
  • InChi: 1S/C15H13F3N6/c1-23(2)9-20-14-21-12-6-7-19-13(24(12)22-14)10-4-3-5-11(8-10)15(16,17)18/h3-9H,1-2H3/b20-9+
  • InChiKey: PUABYUIUCICQHS-AWQFTUOYSA-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 cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0588 0.7081 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0222 0 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0366 0.2786 0.2786
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis conserved hypothetical protein 0.0588 0.7081 0.7081
Mycobacterium ulcerans putative regulatory protein 0.0222 0 0.5
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0332 0.2129 0.0866
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0366 0.2786 0.2786
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0588 0.7081 0.715
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0332 0.2129 0.2129
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0588 0.7081 0.7081
Loa Loa (eye worm) hypothetical protein 0.0738 1 1
Loa Loa (eye worm) hypothetical protein 0.0332 0.2129 0.2129
Loa Loa (eye worm) PDE1B protein 0.0704 0.9328 0.9328
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0222 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0332 0.2129 0.2129
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0704 0.9328 0.9146
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0222 0 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0588 0.7081 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0297 0.1446 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Toxoplasma gondii hypothetical protein 0.0478 0.4953 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0366 0.2786 0.2378
Mycobacterium leprae conserved hypothetical protein 0.0222 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0478 0.4953 0.4953
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase, putative 0.0738 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Plasmodium falciparum GAF domain-related protein, putative 0.0222 0 0.5
Mycobacterium ulcerans putative regulatory protein 0.0222 0 0.5
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0704 0.9328 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0297 0.1446 0.2919
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0332 0.2129 0.2129
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0588 0.7081 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0588 0.7081 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0704 0.9328 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0588 0.7081 0.6292
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0332 0.2129 0.0866
Trichomonas vaginalis conserved hypothetical protein 0.0478 0.4953 0.4953
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0588 0.7081 0.715
Trichomonas vaginalis conserved hypothetical protein 0.0478 0.4953 0.4953
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0297 0.1446 0.2919
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0588 0.7081 0.7081
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0704 0.9328 0.9146
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0588 0.7081 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0588 0.7081 0.7081
Schistosoma mansoni retinal rod rhodopsin-sensitive cgmp 3'5'-cyclic phosphodiesterase 0.0738 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0588 0.7081 0.7081

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) NA 0 uM Antiasthmatic activity against the immunoglobulin E (IgE) antigen using the human basophil asthma model; I = Inactive at 48 microM ChEMBL. 1969485

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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