Detailed information for compound 1513881

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 550.77 | Formula: C31H54N2O6
  • H donors: 4 H acceptors: 4 LogP: 5.58 Rotable bonds: 24
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(CNCCCNCC(CCCCCCCC1=C[C@@H](OC1=O)C)O)CCCCCCCC1=C[C@@H](OC1=O)C
  • InChi: 1S/C31H54N2O6/c1-24-20-26(30(36)38-24)14-9-5-3-7-11-16-28(34)22-32-18-13-19-33-23-29(35)17-12-8-4-6-10-15-27-21-25(2)39-31(27)37/h20-21,24-25,28-29,32-35H,3-19,22-23H2,1-2H3/t24-,25-,28?,29?/m0/s1
  • InChiKey: UROBYIKGJRUUMQ-HVJZFTSCSA-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 rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis conserved hypothetical protein 0.0338 0.2183 1
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0542 0.4602 0.4456
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.032 0.197 0.1753
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.032 0.197 0.1861
Loa Loa (eye worm) glutamate receptor 0.081 0.7781 0.7643
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0294 0.1664 0.7623
Loa Loa (eye worm) hypothetical protein 0.0217 0.0745 0.017
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0585 0.5114 0.6264
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0363 0.1664
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0294 0.1664 0.7623
Schistosoma mansoni metabotropic glutamate receptor 0.0395 0.286 0.2672
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0203 0.0585 0.0331
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0338 0.2183 1
Loa Loa (eye worm) calcium/calmodulin-stimulated cyclic nucleotide phosphodiesterase 0.0217 0.0745 0.017
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0338 0.2183 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0203 0.0585 0.0331
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0363 0.1664
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.032 0.197 0.1627
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.046 0.3626 0.418
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0176 0.0263 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0184 0.0363 0.1664
Schistosoma mansoni high-affinity cgmp-specific 35-cyclic phosphodiesterase 0.0234 0.0958 0.0438
Schistosoma mansoni camp-specific cyclic nucleotide phosphodiesterase 0.0217 0.0745 0.0188
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0294 0.1664 0.7623
Loa Loa (eye worm) hypothetical protein 0.0585 0.5114 0.481
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0338 0.2183 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0216 0.0737 0.3376
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0203 0.0585 0.0331
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0294 0.1664 1
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0679 0.6223 0.6121
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0294 0.1664 0.1267
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0921 0.9097 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0294 0.1664 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0203 0.0585 0.4638
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0208 0.0641 0.0059
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0234 0.0958 0.5
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.046 0.3626 0.3453
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0234 0.0958 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.0641 0.0059
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0217 0.0745 0.0146
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.046 0.3626 0.3453
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0315 0.1911 0.1557
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0294 0.1664 0.1439
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0294 0.1664 0.1439
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0294 0.1664 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Echinococcus granulosus metabotropic glutamate receptor 2 0.0679 0.6223 0.6121
Brugia malayi Metabotropic glutamate receptor precursor. 0.081 0.7781 1
Loa Loa (eye worm) hypothetical protein 0.0475 0.3813 0.3428
Loa Loa (eye worm) glutamate receptor 0.0319 0.1957 0.1457
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0216 0.0737 0.3376
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0188 0.0408 0.1869
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0188 0.0408 0.1869
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0188 0.0408 0.1034
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0294 0.1664 0.7623
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0294 0.1664 1
Brugia malayi metabotropic glutamate receptor type 2 0.0395 0.286 0.3107
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0734 0.6879 0.8736
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.032 0.197 0.1753
Echinococcus multilocularis high affinity cgmp specific 3' 5' cyclic 0.0234 0.0958 0.0713
Loa Loa (eye worm) hypothetical protein 0.0315 0.1911 0.1408
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0203 0.0585 0.0331
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0542 0.4602 0.4456
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0315 0.1911 0.1778
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0294 0.1664 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0203 0.0585 0.5
Loa Loa (eye worm) hypothetical protein 0.035 0.2325 0.1847
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0208 0.0641 0.0059
Toxoplasma gondii hypothetical protein 0.0184 0.0363 0.1439
Loa Loa (eye worm) PDE1B protein 0.032 0.197 0.1471
Schistosoma mansoni metabotropic glutamate receptor 0.0679 0.6223 0.6623
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0294 0.1664 0.7623
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0216 0.0737 0.3376
Loa Loa (eye worm) hypothetical protein 0.0244 0.1068 0.0513
Echinococcus granulosus high affinity cgmp specific 3' 5' cyclic 0.0234 0.0958 0.0713

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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