Detailed information for compound 327105

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 399.437 | Formula: C22H25NO6
  • H donors: 2 H acceptors: 4 LogP: 3.66 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(NC(=O)c1cccc(c1)COc1cc(O)c(cc1CC)C(=O)C)C
  • InChi: 1S/C22H25NO6/c1-5-16-10-18(14(3)24)19(25)11-20(16)29-12-15-7-6-8-17(9-15)21(26)23-13(2)22(27)28-4/h6-11,13,25H,5,12H2,1-4H3,(H,23,26)
  • InChiKey: XWOMGXIUBCJCCF-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphodiesterase 5A, cGMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Toxoplasma gondii hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei gambiense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania infantum cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum expressed protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania donovani cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma brucei cAMP-specific phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma cruzi cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trypanosoma congolense cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania mexicana cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Leishmania braziliensis cAMP specific phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative Get druggable targets OG5_127318 All targets in OG5_127318

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
Plasmodium vivax DNA topoisomerase II, putative 0.034 1 1
Loa Loa (eye worm) hypothetical protein 0.015 0.3176 0.2904
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0112 0.1794 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Brugia malayi Probable DNA topoisomerase II 0.034 1 0.5
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0112 0.1794 1
Giardia lamblia DNA topoisomerase II 0.0325 0.946 0.5
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0112 0.1794 0.1794
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0247 0.6637 0.5
Entamoeba histolytica DNA topoisomerase II, putative 0.034 1 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0112 0.1794 0.1794
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0247 0.6637 0.5
Leishmania major DNA topoisomerase ii 0.0306 0.8769 1
Chlamydia trachomatis DNA gyrase subunit B 0.0185 0.4407 1
Trypanosoma brucei DNA topoisomerase ii 0.0267 0.7387 0.8345
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Toxoplasma gondii DNA topoisomerase 2, putative 0.034 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis DNA topoisomerase II, putative 0.034 1 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0267 0.7387 0.8345
Brugia malayi DNA topoisomerase II, alpha isozyme 0.034 1 0.5
Leishmania major mitochondrial DNA topoisomerase II 0.0267 0.7387 0.8345
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.034 1 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0112 0.1794 0.1794
Trichomonas vaginalis conserved hypothetical protein 0.0074 0.0419 0.0329
Echinococcus granulosus DNA topoisomerase 2 alpha 0.034 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0112 0.1794 1
Loa Loa (eye worm) TOPoisomerase family member 0.034 1 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0247 0.6637 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Plasmodium falciparum DNA topoisomerase 2 0.034 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trypanosoma cruzi DNA topoisomerase II, putative 0.0306 0.8769 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Mycobacterium ulcerans DNA gyrase subunit B 0.0112 0.1794 1
Chlamydia trachomatis DNA gyrase subunit B 0.0112 0.1794 0.407
Loa Loa (eye worm) hypothetical protein 0.015 0.3176 0.2904
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0306 0.8769 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Loa Loa (eye worm) hypothetical protein 0.0228 0.5976 0.5816
Loa Loa (eye worm) hypothetical protein 0.0228 0.5976 0.5816
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Toxoplasma gondii hypothetical protein 0.0065 0.0093 0.0093
Trypanosoma cruzi DNA topoisomerase II, putative 0.0306 0.8769 1
Schistosoma mansoni DNA topoisomerase II 0.034 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0267 0.7387 0.8345
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0306 0.8769 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 0.0419 0.0329
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 0.0419 0.0329

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.13 uM Inhibitory concentration against Phosphodiesterase type 5 ChEMBL. 16005625
IC50 (binding) = 2.13 uM Inhibitory concentration against Phosphodiesterase type 5 ChEMBL. 16005625

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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