Detailed information for compound 212287

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 238.24 | Formula: C11H14N2O4
  • H donors: 3 H acceptors: 4 LogP: -1.25 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1C[C@]2(C([C@@H]1O)C2)n1cc(C)c(=O)[nH]c1=O
  • InChi: 1S/C11H14N2O4/c1-5-4-13(10(17)12-9(5)16)11-2-6(11)8(15)7(14)3-11/h4,6-8,14-15H,2-3H2,1H3,(H,12,16,17)/t6?,7-,8-,11+/m0/s1
  • InChiKey: CSWACWQXAVDPED-QJIUWPIXSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0736 0.257 1
Trichomonas vaginalis conserved hypothetical protein 0.0405 0.0697 0.4764
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0541 0.1464 0.1464
Trichomonas vaginalis conserved hypothetical protein 0.0541 0.1464 1
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0541 0.1464 0.1464
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Schistosoma mansoni calcium/calmodulin-dependent 35-cyclic nucleotide phosphodiesterase 0.2047 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0541 0.1464 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.2047 1 1
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0736 0.257 1
Leishmania major cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100 0.0736 0.257 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0541 0.1464 0.4299
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0736 0.257 0.257
Trichomonas vaginalis conserved hypothetical protein 0.0405 0.0697 0.4764
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0736 0.257 0.5
Loa Loa (eye worm) PDE1B protein 0.2047 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0541 0.1464 0.4299
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0393 0.0629 0.4296
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis conserved hypothetical protein 0.0405 0.0697 0.4764
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0736 0.257 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.2047 1 1
Trypanosoma brucei cAMP phosphodiesterase A, putative 0.0736 0.257 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0541 0.1464 0.4299
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0393 0.0629 0.4296
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0541 0.1464 0.1464
Trypanosoma cruzi cAMP phosphodiesterase A, putative 0.0736 0.257 1
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0736 0.257 0.257
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0541 0.1464 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 20 ug ml-1 Compound was tested for cytotoxicity against HSV-1 (herpes simplex type-1) of HFF (human foreskin fibroblasts) cells in different experiment ChEMBL. 8809162
CC50 (ADMET) > 20 ug ml-1 Compound was tested for cytotoxicity against HSV-2 (herpes simplex type-2) of HFF (human foreskin fibroblasts) cells in different experiment ChEMBL. 8809162
CC50 (ADMET) > 20 ug ml-1 Compound was tested for cytotoxicity against HSV-1 (herpes simplex type-1) of HFF (human foreskin fibroblasts) cells in different experiment ChEMBL. 8809162
CC50 (ADMET) > 50 ug ml-1 Compound was tested for cytotoxicity against HSV-1 (herpes simplex type-1) of HFF (human foreskin fibroblasts) cells ChEMBL. 8809162
CC50 (ADMET) > 50 ug ml-1 Compound was tested for cytotoxicity against HSV-2 (herpes simplex type-2) of HFF (human foreskin fibroblasts) cells ChEMBL. 8809162
CC50 (ADMET) > 50 ug ml-1 Compound was tested for cytotoxicity against HSV-1 (herpes simplex type-1) of HFF (human foreskin fibroblasts) cells ChEMBL. 8809162

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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