Detailed information for compound 336971

Basic information

Technical information
  • TDR Targets ID: 336971
  • Name: 1-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3- yl)phenoxy]pentyl]-3-pyridin-4-ylimidazolidin -2-one
  • MW: 421.492 | Formula: C23H27N5O3
  • H donors: 0 H acceptors: 4 LogP: 3.45 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCN1CCN(C1=O)c1ccncc1)CCOc1ccc(cc1)c1noc(n1)C
  • InChi: 1S/C23H27N5O3/c1-17(9-13-27-14-15-28(23(27)29)20-7-11-24-12-8-20)10-16-30-21-5-3-19(4-6-21)22-25-18(2)31-26-22/h3-8,11-12,17H,9-10,13-16H2,1-2H3
  • InChiKey: KFNVTEAQNRTWRK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)imidazolidin-2-one
  • 1-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridyl)-2-imidazolidinone
  • 1-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-pyridin-4-yl-imidazolidin-2-one
  • 2-Imidazolidinone, 1-[3-methyl-5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]-3-(4-pyridinyl)-
  • AIDS-287208
  • AIDS287208

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
Loa Loa (eye worm) hypothetical protein 0.0373 0.304 0.4418
Plasmodium vivax hypothetical protein, conserved 0.0229 0.054 0.5
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0386 0.3264 0.3914
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0386 0.3264 0.3264
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0386 0.3264 0.1239
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0386 0.3264 0.3264
Toxoplasma gondii hypothetical protein 0.0631 0.7499 1
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0229 0.054 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Plasmodium falciparum GAF domain-related protein, putative 0.0229 0.054 0.5
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0546 0.603 0.5804
Trichomonas vaginalis conserved hypothetical protein 0.0775 1 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0373 0.304 0.2643
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0229 0.054 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase T04D3.3, putative 0.0331 0.2311 0.2847
Trichomonas vaginalis conserved hypothetical protein 0.0631 0.7499 0.7357
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Loa Loa (eye worm) hypothetical protein 0.0411 0.3699 0.5582
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Loa Loa (eye worm) hypothetical protein 0.0386 0.3264 0.4813
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Mycobacterium leprae conserved hypothetical protein 0.0229 0.054 0.5
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0373 0.304 0.0949
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.0373 0.304 0.304
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0373 0.304 0.2643
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0775 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0242 0.0763 0.0395
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Mycobacterium tuberculosis Two component sensor histidine kinase DosT 0.0229 0.054 0.5
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0373 0.304 0.2643
Mycobacterium ulcerans putative regulatory protein 0.0229 0.054 0.5
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0546 0.603 0.5804
Mycobacterium ulcerans putative regulatory protein 0.0229 0.054 0.5
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0775 1 1
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0556 0.6199 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0775 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0775 1 0.5
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0631 0.7499 0.7357
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0386 0.3264 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0242 0.0763 0.0763
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0631 0.7499 0.7357
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.0373 0.304 0.4189
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0386 0.3264 0.3264
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0775 1 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0386 0.3264 0.3264
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0775 1 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0242 0.0763 0.0763
Loa Loa (eye worm) PDE1B protein 0.0331 0.2311 0.3129
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.0373 0.304 0.304
Loa Loa (eye worm) hypothetical protein 0.0556 0.6199 1
Echinococcus multilocularis calcium:calmodulin dependent 3',5' cyclic 0.0331 0.2311 0.2311
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0373 0.304 0.4189
Echinococcus granulosus calcium:calmodulin dependent 3'5' cyclic 0.0331 0.2311 0.2311
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0775 1 1
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0775 1 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 6.25 uM Cytotoxicity of the compound against human rhabdomyosarcoma cells ChEMBL. 15887961
IC50 (functional) = 0.0009 uM In vitro inhibitory concentration against human enterovirus EV71-4643 strain ChEMBL. 15887961
IC50 (functional) = 0.01 uM In vitro inhibitory concentration against human enterovirus EV71-2231 strain ChEMBL. 15887961
Selectivity index (functional) > 625 Ratio of CC50 of the compound to that of IC50 against human enterovirus EV71-2231 strain ChEMBL. 15887961
Selectivity index (functional) > 6944 Ratio of CC50 of the compound to that of IC50 against human enterovirus EV71-4643 strain ChEMBL. 15887961

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.