Detailed information for compound 1592549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.391 | Formula: C19H21F3N4O
  • H donors: 1 H acceptors: 3 LogP: 2.1 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC1CCN(CC1)C(c1cnccn1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C19H21F3N4O/c1-13(27)25-16-6-10-26(11-7-16)18(17-12-23-8-9-24-17)14-2-4-15(5-3-14)19(20,21)22/h2-5,8-9,12,16,18H,6-7,10-11H2,1H3,(H,25,27)
  • InChiKey: MBEIZNDGBZMXCT-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 rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0039 0.2283 0.355
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0039 0.2283 0.355
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0101 0.9799 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0073 0.6431 1
Plasmodium vivax hypothetical protein, conserved 0.002 0 0.5
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.002 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0101 0.9799 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0082 0.7517 0.6782
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0073 0.6431 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.9799 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0073 0.6431 0.5
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0082 0.7517 0.6963
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0073 0.6431 0.5375
Mycobacterium ulcerans putative regulatory protein 0.002 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.4148 0.645
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.4148 0.645
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Schistosoma mansoni retinoic acid receptor RXR 0.0103 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.002 0 0.5
Toxoplasma gondii hypothetical protein 0.0054 0.4148 0.4233
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0101 0.9799 0.974
Mycobacterium leprae conserved hypothetical protein 0.002 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.4148 0.645
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0082 0.7517 0.7671
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0054 0.4065 0.632
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0073 0.6431 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0101 0.9799 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0073 0.6431 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.002 0 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0101 0.9799 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.2283 0.2329
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0073 0.6431 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0101 0.9799 0.974
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0082 0.7517 1
Trichomonas vaginalis conserved hypothetical protein 0.0073 0.6431 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0073 0.6431 0.5375
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0101 0.9799 0.974
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0039 0.2283 0.355
Plasmodium falciparum GAF domain-related protein, putative 0.002 0 0.5
Mycobacterium ulcerans putative regulatory protein 0.002 0 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0073 0.6431 0.5519
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0054 0.4065 0.632
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0073 0.6431 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0099 0.9534 0.9646
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0073 0.6431 1

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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