Detailed information for compound 1519430

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 335.357 | Formula: C19H17N3O3
  • H donors: 3 H acceptors: 5 LogP: 3.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1c(Nc2ccc(cc2)C(=O)O)nc(nc1C)c1ccccc1
  • InChi: 1S/C19H17N3O3/c1-12-16(11-23)18(21-15-9-7-14(8-10-15)19(24)25)22-17(20-12)13-5-3-2-4-6-13/h2-10,23H,11H2,1H3,(H,24,25)(H,20,21,22)
  • InChiKey: AQTOLZNEJOBCCB-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 4D, cAMP-specific Starlite/ChEMBL References
Homo sapiens phosphodiesterase 4B, cAMP-specific Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 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
Cryptosporidium hominis hypothetical protein 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 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
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative 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
Neospora caninum cAMP-specific phosphodiesterase, 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
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 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
Schistosoma japonicum cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative 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
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
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 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
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative Get druggable targets OG5_128242 All targets in OG5_128242
Loa Loa (eye worm) hypothetical protein 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
Brugia malayi Zinc finger, C2H2 type family protein 0.0958 0.3375 0.3375
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2453 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0958 0.3375 0.5
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0223 0.012 0.5
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.2453 1 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0958 0.3375 1
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.2453 1 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.012 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0223 0.012 0.0357
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0958 0.3375 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0223 0.012 0.0357
Echinococcus multilocularis conserved hypothetical protein 0.0811 0.2726 0.8075
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2453 1 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0958 0.3375 0.5
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.2453 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0958 0.3375 0.5
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0958 0.3375 1
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.2453 1 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0223 0.012 0.0357
Plasmodium falciparum dihydroorotate dehydrogenase 0.2453 1 0.5
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0958 0.3375 0.5
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0958 0.3375 0.5
Echinococcus granulosus hypothetical protein 0.082 0.2763 0.8185
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.2453 1 0.5
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0958 0.3375 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0223 0.012 0.0357
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.2453 1 1
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.2453 1 0.5
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.2453 1 0.5
Schistosoma mansoni dihydroorotate dehydrogenase 0.2453 1 1
Leishmania major dihydroorotate dehydrogenase 0.2453 1 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0958 0.3375 0.5
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.2453 1 0.5
Brugia malayi Serotonin receptor 0.0549 0.1565 0.1565
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0958 0.3375 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 540 nM Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates ChEMBL. 19447034
IC50 (binding) = 8000 nM Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates ChEMBL. 19447034

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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