Detailed information for compound 282696

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 557.685 | Formula: C35H35N5O2
  • H donors: 1 H acceptors: 2 LogP: 6.17 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: C1CCN(C1)CCOc1ccc(cc1)c1cnc(nc1)N1CCc2c(C1c1ccc3c(c1)CCO3)[nH]c1c2cccc1
  • InChi: 1S/C35H35N5O2/c1-2-6-31-29(5-1)30-13-17-40(34(33(30)38-31)26-9-12-32-25(21-26)14-19-42-32)35-36-22-27(23-37-35)24-7-10-28(11-8-24)41-20-18-39-15-3-4-16-39/h1-2,5-12,21-23,34,38H,3-4,13-20H2
  • InChiKey: ARHUEIJTBOZVJC-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
Trichomonas vaginalis 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 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
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 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 cGMP-inhibited 3,5-cyclic 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
Leishmania mexicana 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
Candida albicans similar to S. cerevisiae PDE2 (YOR360C) cAMP phosphodiesterase 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
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
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide 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 high-affinity 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
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
Leishmania infantum 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
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 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
Schistosoma japonicum Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11, 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 rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 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
Toxoplasma gondii hypothetical protein 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
Trypanosoma cruzi 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 cAMP-specific 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
Trichomonas vaginalis conserved hypothetical protein 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 calcium/calmodulin-dependent 3,5-cyclic nucleotide 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
Trypanosoma congolense cAMP-specific phosphodiesterase 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 congolense 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
Trypanosoma brucei gambiense cAMP-specific 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
Trichomonas vaginalis conserved hypothetical protein 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 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
Trypanosoma brucei cAMP-specific phosphodiesterase 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 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
Trichomonas vaginalis cGMP-dependent 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
Leishmania donovani 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 conserved hypothetical protein 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
Echinococcus multilocularis caspase 3 0.0217 0.4177 0.1294
Plasmodium vivax metacaspase 1, putative 0.0189 0.3311 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.0404 0.9924 0.9924
Plasmodium falciparum metacaspase 1 0.0189 0.3311 0.5
Mycobacterium leprae PROBABLE HYDROLASE 0.0094 0.0387 0.5
Loa Loa (eye worm) hypothetical protein 0.0215 0.41 0.3894
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Loa Loa (eye worm) matrixin family protein 0.0187 0.3243 0.2995
Schistosoma mansoni hypothetical protein 0.0215 0.41 0.41
Trypanosoma brucei metacaspase MCA2 0.0189 0.3311 0.5
Trypanosoma brucei Metacaspase-4 0.0189 0.3311 0.5
Echinococcus multilocularis apoptotic protease activating factor 1 0.0215 0.41 0.118
Trypanosoma cruzi metacaspase, putative 0.0189 0.3311 0.5
Trypanosoma cruzi metacaspase, putative 0.0189 0.3311 0.5
Echinococcus granulosus caspase 2 0.0404 0.9924 0.9886
Plasmodium falciparum metacaspase-like protein 0.0189 0.3311 0.5
Loa Loa (eye worm) matrixin family protein 0.0171 0.2767 0.2496
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Echinococcus granulosus caspase 0.0406 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.3311 0.5
Onchocerca volvulus Cell death protein 3 homolog 0.0404 0.9924 1
Brugia malayi hypothetical protein 0.0215 0.41 0.3894
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.3311 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.3311 0.5
Brugia malayi Hemopexin family protein 0.011 0.0863 0.0499
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0189 0.3311 0.5
Trypanosoma cruzi metacaspase, putative 0.0189 0.3311 0.5
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0281 0.6142 0.4232
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0094 0.0387 0.5
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0189 0.3311 0.3066
Trypanosoma cruzi metacaspase 5, putative 0.0189 0.3311 0.5
Echinococcus granulosus caspase 3 0.0217 0.4177 0.1294
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0189 0.3311 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.3311 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.3311 0.5
Schistosoma mansoni caspase-7 (C14 family) 0.0406 1 1
Onchocerca volvulus Matrilysin homolog 0.0171 0.2767 0.2102
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0189 0.3311 0.5
Loa Loa (eye worm) hypothetical protein 0.0404 0.9924 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Echinococcus multilocularis caspase 0.0406 1 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Plasmodium vivax hypothetical protein, conserved 0.0189 0.3311 0.5
Trypanosoma brucei metacaspase 5, putative 0.0189 0.3311 0.5
Trypanosoma brucei metacaspase MCA3 0.0189 0.3311 0.5
Echinococcus granulosus apoptotic protease activating factor 1 0.0215 0.41 0.118
Trypanosoma brucei metacaspase 0.0189 0.3311 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0189 0.3311 0.5
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0406 1 1
Trypanosoma cruzi metacaspase 5, putative 0.0189 0.3311 0.5
Brugia malayi Matrixin family protein 0.0187 0.3243 0.2995
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Loa Loa (eye worm) hypothetical protein 0.0189 0.3311 0.3066
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0281 0.6142 0.4232
Schistosoma mansoni caspase-3 (C14 family) 0.0406 1 1
Mycobacterium ulcerans hydrolase 0.0094 0.0387 0.5
Schistosoma mansoni hypothetical protein 0.011 0.0863 0.0863
Brugia malayi Cell death protein 3 precursor 0.0404 0.9924 1
Leishmania major metacaspase, putative 0.0189 0.3311 0.5
Trypanosoma cruzi metacaspase, putative 0.0189 0.3311 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0171 0.2767 0.2102
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0189 0.3311 0.3311
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5
Echinococcus multilocularis caspase 2 0.0404 0.9924 0.9886
Onchocerca volvulus 0.0215 0.41 0.3573
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0189 0.3311 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 1000 nM Inhibitory activity against PDE5 from human corpus cavernosum ChEMBL. 12639576
Ki (binding) > 1000 nM Inhibitory activity against PDE5 from human corpus cavernosum ChEMBL. 12639576

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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