Detailed information for compound 330946

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.451 | Formula: C22H26N2O7
  • H donors: 3 H acceptors: 6 LogP: 2.35 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(C(O)C)NC(=O)c1cccc(n1)COc1cc(O)c(cc1CC)C(=O)C
  • InChi: 1S/C22H26N2O7/c1-5-14-9-16(12(2)25)18(27)10-19(14)31-11-15-7-6-8-17(23-15)21(28)24-20(13(3)26)22(29)30-4/h6-10,13,20,26-27H,5,11H2,1-4H3,(H,24,28)
  • InChiKey: LSYYLOKMIRKVDS-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
Trypanosoma cruzi cAMP specific 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 cGMP-specific 3,5-cyclic 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 conserved hypothetical protein 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
Leishmania infantum cAMP specific phosphodiesterase, 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 brucei cAMP-specific phosphodiesterase 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
Trypanosoma cruzi 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 high-affinity 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 cyclic nucleotide phosphodiesterase, 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 calcium/calmodulin-dependent 3,5-cyclic nucleotide 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 mansoni camp/cgmp cyclic nucleotide phosphodiesterase 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
Leishmania infantum 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
Trichomonas vaginalis conserved hypothetical protein 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 rod 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 conserved hypothetical protein 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 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
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 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
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, 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
Leishmania mexicana 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
Trypanosoma brucei cAMP-specific phosphodiesterase 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
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 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
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, putative 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
Trypanosoma cruzi 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
Trichomonas vaginalis cGMP-dependent 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
Trypanosoma congolense cAMP-specific 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 cone cGMP-specific 3,5-cyclic 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 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 rod 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
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase 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
Leishmania braziliensis cAMP specific 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
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.8196 0.8196
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Onchocerca volvulus 0.0065 0.8317 0.5
Plasmodium vivax hypothetical protein, conserved 0.0023 0 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Mycobacterium ulcerans oxidoreductase 0.0065 0.8317 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0074 1 1
Loa Loa (eye worm) oxidoreductase 0.0065 0.8317 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 1 1
Trypanosoma cruzi aldo-keto reductase 0.0065 0.8317 0.64
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Echinococcus granulosus aldo keto reductase 0.0065 0.8317 0.7946
Giardia lamblia Aldose reductase 0.0065 0.8317 0.5
Trypanosoma cruzi aldo/keto reductase, putative 0.0065 0.8317 0.64
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.005 0.5325 0.5325
Onchocerca volvulus 0.0065 0.8317 0.5
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0074 1 1
Schistosoma mansoni pol-related 0.0065 0.8317 0.7946
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.8317 1
Entamoeba histolytica aldose reductase, putative 0.0065 0.8317 0.5
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.8317 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Mycobacterium tuberculosis Probable oxidoreductase 0.0065 0.8317 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.8317 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 0.8317 0.8317
Schistosoma mansoni aldo-keto reductase 0.0065 0.8317 0.7946
Echinococcus multilocularis aldo keto reductase 0.0065 0.8317 0.7946
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0033 0.1804 0.1804
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Schistosoma mansoni aldo-keto reductase 0.0065 0.8317 0.7946
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0033 0.1804 0.1804
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Loa Loa (eye worm) oxidoreductase 0.0065 0.8317 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Loa Loa (eye worm) oxidoreductase 0.0065 0.8317 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0065 0.8317 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Toxoplasma gondii aldose reductase, putative 0.0065 0.8317 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0033 0.1804 0.1804
Loa Loa (eye worm) oxidoreductase 0.0065 0.8317 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.8317 1
Echinococcus multilocularis aldo keto reductase 0.0065 0.8317 0.7946
Onchocerca volvulus 0.0065 0.8317 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.8196 0.8196
Plasmodium falciparum GAF domain-related protein, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1804 0.2169
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Echinococcus granulosus aldehyde reductase 0.0046 0.4554 0.3355
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 0.8317 0.8317
Trichomonas vaginalis aldo/keto reductase, putative 0.0065 0.8317 0.8317
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Trichomonas vaginalis conserved hypothetical protein 0.0065 0.8196 0.8196
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.005 0.5325 0.5325
Onchocerca volvulus 0.0065 0.8317 0.5
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Onchocerca volvulus 0.0065 0.8317 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0065 0.8317 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0074 1 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0074 1 1
Giardia lamblia Aldose reductase 0.0065 0.8317 0.5
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0074 1 1
Entamoeba histolytica aldose reductase, putative 0.0065 0.8317 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Echinococcus granulosus aldo keto reductase 0.0065 0.8317 0.7946
Echinococcus multilocularis aldo keto reductase 0.0065 0.8317 0.7946
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 0.8317 0.8317
Echinococcus granulosus aldo keto reductase 0.0065 0.8317 0.7946
Echinococcus granulosus hypothetical protein 0.0065 0.8317 0.7946
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0074 1 1
Echinococcus multilocularis aldehyde reductase 0.0046 0.4554 0.3355
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0046 0.4554 0.5475
Loa Loa (eye worm) oxidoreductase 0.0065 0.8317 1
Entamoeba histolytica aldose reductase, putative 0.0065 0.8317 0.5
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0065 0.8317 0.8317
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Toxoplasma gondii hypothetical protein 0.0065 0.8196 0.9855
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0065 0.8317 0.8317
Echinococcus multilocularis aldo keto reductase 0.0065 0.8317 0.7946
Onchocerca volvulus 0.0065 0.8317 0.5
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0065 0.8317 0.7946
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0065 0.8317 0.7946
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0074 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3.35 uM Inhibitory concentration against Phosphodiesterase type 5 ChEMBL. 16005625
IC50 (binding) = 3.35 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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