Detailed information for compound 825920

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 408.533 | Formula: C25H32N2O3
  • H donors: 0 H acceptors: 2 LogP: 3.93 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N(Cc1cccnc1)Cc1ccc(cc1)OCC1COCC1)C1CCCCC1
  • InChi: 1S/C25H32N2O3/c28-25(23-6-2-1-3-7-23)27(17-21-5-4-13-26-15-21)16-20-8-10-24(11-9-20)30-19-22-12-14-29-18-22/h4-5,8-11,13,15,22-23H,1-3,6-7,12,14,16-19H2
  • InChiKey: UMMXZGCJTKSQLV-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
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0719 0.036 0.0309
Trichomonas vaginalis conserved hypothetical protein 0.1292 0.0973 1
Plasmodium falciparum GAF domain-related protein, putative 0.0832 0.0481 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.1214 0.089 0.0841
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.0719 0.036 0.1481
Toxoplasma gondii hypothetical protein 0.0832 0.0481 0.9284
Echinococcus granulosus kinesin family 1 0.3003 0.2802 0.2764
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.9737 1 1
Mycobacterium leprae conserved hypothetical protein 0.0832 0.0481 0.5
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1214 0.089 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0431 0.0053 0.0186
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1214 0.089 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis conserved hypothetical protein 0.0866 0.0518 0.5324
Loa Loa (eye worm) PDE1B protein 0.0719 0.036 0.0366
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0719 0.036 0.0352
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0719 0.036 0.0309
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1292 0.0973 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.1214 0.089 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0465 0.0088 0.1685
Trichomonas vaginalis conserved hypothetical protein 0.0866 0.0518 0.5324
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0465 0.0088 0.0992
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1292 0.0973 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0425 0.0046 0.0476
Toxoplasma gondii hypothetical protein 0.0832 0.0481 0.9284
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.1214 0.089 0.9149
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0465 0.0088 0.1564
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0431 0.0053 0.0868
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1292 0.0973 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.118 0.0853 0.8774
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.1355 0.104 0.4342
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Plasmodium vivax hypothetical protein, conserved 0.0832 0.0481 1
Loa Loa (eye worm) hypothetical protein 0.8556 0.8738 0.9075
Loa Loa (eye worm) hypothetical protein 0.1355 0.104 0.1073
Toxoplasma gondii hypothetical protein 0.0866 0.0518 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.9737 1 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0465 0.0088 0.0992
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Toxoplasma gondii GAF domain-containing protein 0.0832 0.0481 0.9284
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0465 0.0088 0.1564
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1214 0.089 1
Loa Loa (eye worm) hypothetical protein 0.0431 0.0053 0.0046
Loa Loa (eye worm) hypothetical protein 0.9389 0.9628 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.1214 0.089 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.1214 0.089 0.3708
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1214 0.089 0.9149
Echinococcus multilocularis kinesin family 1 0.3003 0.2802 0.2764
Trichomonas vaginalis conserved hypothetical protein 0.0832 0.0481 0.4949
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.1355 0.104 0.1033
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.1214 0.089 0.9149
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0425 0.0046 0.0476
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1214 0.089 0.9149
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0465 0.0088 0.0036
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.1214 0.089 0.0841
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.118 0.0853 0.8774
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0431 0.0053 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1214 0.089 0.9149
Entamoeba histolytica kinesin, putative 0.039 0.0009 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0866 0.0518 0.5324
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0465 0.0088 0.0036
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.118 0.0853 0.8774
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.1214 0.089 0.9149
Schistosoma mansoni hypothetical protein 0.2613 0.2385 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.1214 0.089 0.9149
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.091 0.0564 1
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.091 0.0564 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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