Detailed information for compound 408794

Basic information

Technical information
  • TDR Targets ID: 408794
  • Name: 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsu lfonylphenyl)oxolan-2-one
  • MW: 362.415 | Formula: C19H19FO4S
  • H donors: 0 H acceptors: 3 LogP: 3.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1OC(C(C1c1cccc(c1)F)c1ccc(cc1)S(=O)(=O)C)(C)C
  • InChi: 1S/C19H19FO4S/c1-19(2)17(12-7-9-15(10-8-12)25(3,22)23)16(18(21)24-19)13-5-4-6-14(20)11-13/h4-11,16-17H,1-3H3
  • InChiKey: SRBHRJQIWKGVHK-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)tetrahydrofuran-2-one
  • 3-(3-fluorophenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)-2-tetrahydrofuranone
  • 3-(3-fluorophenyl)-4-(4-mesylphenyl)-5,5-dimethyl-tetrahydrofuran-2-one

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
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0052 0.005 0.0058
Toxoplasma gondii kinesin motor domain-containing protein 0.0276 0.1127 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0244 0.0974 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0076 0.0166 0.0116
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0052 0.005 0.0058
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0052 0.005 0.0058
Plasmodium falciparum kinesin-5 0.0276 0.1127 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0244 0.0974 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0052 0.005 0.0058
Giardia lamblia Kinesin-5 0.0276 0.1127 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0076 0.0166 0.107
Loa Loa (eye worm) hypothetical protein 0.0076 0.0166 0.107
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0261 0.1056 0.1011
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0261 0.1056 0.9344
Plasmodium vivax kinesin-5 0.0276 0.1127 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0261 0.1056 0.1011
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0261 0.1056 0.9344
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0052 0.005 0.0058
Schistosoma mansoni hypothetical protein 0.1846 0.8675 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0276 0.1127 1
Schistosoma mansoni voltage-gated potassium channel 0.0285 0.1172 0.1351
Entamoeba histolytica kinesin, putative 0.0276 0.1127 0.5
Echinococcus multilocularis kinesin family 1 0.2121 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0052 0.005 0.0058
Schistosoma mansoni voltage-gated potassium channel 0.0076 0.0166 0.0191
Schistosoma mansoni voltage-gated potassium channel 0.0285 0.1172 0.1351
Echinococcus granulosus voltage gated potassium channel 0.0076 0.0166 0.0116
Echinococcus multilocularis voltage gated potassium channel 0.0076 0.0166 0.0116
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0076 0.0166 0.0116
Schistosoma mansoni kinesin eg-5 0.0276 0.1127 0.1299
Brugia malayi Kinesin motor domain containing protein 0.0276 0.1127 1
Schistosoma mansoni voltage-gated potassium channel 0.0076 0.0166 0.0191
Loa Loa (eye worm) hypothetical protein 0.0226 0.0891 0.7805

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Activity at COX2 assessed as inhibition of arachidonic acid-induced PGE2 production in LPS-stimulated J774 cells ChEMBL. 17181159

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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