Detailed information for compound 322895

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.421 | Formula: C16H21N3O3S
  • H donors: 2 H acceptors: 2 LogP: 3.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(O)cc(cc1O)c1s/c(=N\C2CCCCC2)/n(n1)C
  • InChi: 1S/C16H21N3O3S/c1-19-16(17-11-6-4-3-5-7-11)23-15(18-19)10-8-12(20)14(22-2)13(21)9-10/h8-9,11,20-21H,3-7H2,1-2H3/b17-16-
  • InChiKey: UZDBDDOQDGKSBO-MSUUIHNZSA-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 4D, cAMP-specific Starlite/ChEMBL References
Homo sapiens phosphodiesterase 7A Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium parvum membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic Get druggable targets OG5_133100 All targets in OG5_133100
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A Get druggable targets OG5_128242 All targets in OG5_128242
Neospora caninum cAMP-specific phosphodiesterase, putative Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative Get druggable targets OG5_128242 All targets in OG5_128242
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic Get druggable targets OG5_133100 All targets in OG5_133100
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative Get druggable targets OG5_128242 All targets in OG5_128242
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase Get druggable targets OG5_128242 All targets in OG5_128242
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B Get druggable targets OG5_128242 All targets in OG5_128242

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
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0323 0.2774 0.2668
Schistosoma mansoni tyrosine kinase 0.0346 0.3299 0.32
Loa Loa (eye worm) TK/EGFR protein kinase 0.0644 1 1
Echinococcus multilocularis epidermal growth factor receptor 0.0644 1 1
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0323 0.2774 0.2668
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0323 0.2774 0.2668
Schistosoma mansoni tyrosine kinase 0.0342 0.3217 0.3117
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0323 0.2774 0.2774
Schistosoma mansoni tyrosine kinase 0.0346 0.3299 0.32
Leishmania major 0.0323 0.2774 0.5
Schistosoma mansoni tyrosine kinase 0.0644 1 1
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0482 0.6351 0.6351
Echinococcus multilocularis epidermal growth factor receptor 0.0346 0.3299 0.3299
Echinococcus granulosus epidermal growth factor receptor 0.0644 1 1
Schistosoma mansoni tyrosine kinase 0.0342 0.3217 0.3117
Echinococcus granulosus epidermal growth factor receptor 0.0346 0.3299 0.32
Brugia malayi fructose-1,6-bisphosphatase 0.0323 0.2774 0.2668
Echinococcus multilocularis insulin receptor 0.0206 0.0145 0.0145
Toxoplasma gondii fructose-bisphospatase II 0.0323 0.2774 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0346 0.3299 0.32
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0323 0.2774 0.5
Schistosoma mansoni tyrosine kinase 0.0342 0.3217 0.3117
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0323 0.2774 0.5
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0482 0.6351 0.6297
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0323 0.2774 0.5
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0206 0.0145 0.0145

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.06 uM Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells ChEMBL. 15324874
IC50 (binding) = 0.06 uM Inhibition of human Phosphodiesterase 7A1 expressed in baculovirus infected Sf9 cells ChEMBL. 15324874
IC50 (binding) = 11.88 uM Inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 cells ChEMBL. 15324874
IC50 (binding) = 11.88 uM Inhibition of human Phosphodiesterase 4D3 expressed in baculovirus infected Sf9 cells ChEMBL. 15324874

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

1 literature reference was collected for this gene.

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