Detailed information for compound 51860

Basic information

Technical information
  • TDR Targets ID: 51860
  • Name: 4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-y l]benzenesulfonamide
  • MW: 332.349 | Formula: C16H13FN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)c1nc(oc1c1ccc(cc1)S(=O)(=O)N)C
  • InChi: 1S/C16H13FN2O3S/c1-10-19-15(11-2-6-13(17)7-3-11)16(22-10)12-4-8-14(9-5-12)23(18,20)21/h2-9H,1H3,(H2,18,20,21)
  • InChiKey: HYEBIIAQOZKAGA-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[4-(4-fluorophenyl)-2-methyl-oxazol-5-yl]benzenesulfonamide
  • 4-[4-(4-fluorophenyl)-2-methyl-5-oxazolyl]benzenesulfonamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References
Homo sapiens prostaglandin-endoperoxide synthase 1 (prostaglandin G/H synthase and cyclooxygenase) Starlite/ChEMBL References

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
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0218 1 1
Onchocerca volvulus 0.0063 0.1298 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Brugia malayi Animal haem peroxidase family protein 0.0063 0.1298 0.127
Brugia malayi Animal haem peroxidase family protein 0.0063 0.1298 0.127
Echinococcus multilocularis peroxidasin 0.0063 0.1298 0.127
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Trichomonas vaginalis fk506-binding protein, putative 0.0218 1 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0218 1 1
Schistosoma mansoni peroxidasin 0.0063 0.1298 0.127
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0218 1 1
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0218 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0218 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0218 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0218 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0218 1 0.5
Onchocerca volvulus Peroxidasin homolog 0.0063 0.1298 0.5
Leishmania major fk506-binding protein 1-like protein 0.0218 1 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0218 1 1
Schistosoma mansoni immunophilin 0.0218 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Brugia malayi Blistered cuticle protein 3 0.0063 0.1298 0.127
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0218 1 1
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0218 1 1
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0218 1 1
Schistosoma mansoni immunophilin 0.0188 0.831 0.8305
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0218 1 1
Onchocerca volvulus Dual oxidase homolog 0.0063 0.1298 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0218 1 0.5
Schistosoma mansoni peroxidasin 0.0063 0.1298 0.127
Brugia malayi Peroxidasin 0.0063 0.1298 0.127
Schistosoma mansoni immunophilin 0.0218 1 1
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0218 1 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0063 0.1298 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Onchocerca volvulus 0.0063 0.1298 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0218 1 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.1298 0.127
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.1298 0.1298
Onchocerca volvulus Peroxidasin homolog 0.0063 0.1298 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0063 0.1298 0.1298
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0218 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.1298 0.1298
Loa Loa (eye worm) hypothetical protein 0.0188 0.831 0.831
Leishmania major peptidylprolyl isomerase-like protein 0.0218 1 1
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0188 0.831 0.8305
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.1298 0.1298
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0218 1 0.5
Brugia malayi hypothetical protein 0.0063 0.1298 0.127
Toxoplasma gondii protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein 0.0041 0.0033 0.5
Echinococcus multilocularis fk506 binding protein 0.0218 1 1
Loa Loa (eye worm) FKBP5 protein 0.0218 1 1
Brugia malayi Animal haem peroxidase family protein 0.0063 0.1298 0.127
Loa Loa (eye worm) hypothetical protein 0.0041 0.0033 0.0033
Trichomonas vaginalis immunophilin, putative 0.0218 1 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0188 0.831 0.8305
Brugia malayi Animal haem peroxidase family protein 0.0063 0.1298 0.127
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Onchocerca volvulus Peroxidase homolog 0.0063 0.1298 0.5
Echinococcus granulosus peroxidasin 0.0063 0.1298 0.127
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Onchocerca volvulus Peroxidase homolog 0.0063 0.1298 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0063 0.1298 0.1298
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0218 1 0.5
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0218 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0218 1 1
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0218 1 1
Onchocerca volvulus 0.0063 0.1298 0.5
Loa Loa (eye worm) hypothetical protein 0.0063 0.1298 0.1298

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.02 uM Inhibition of human purified Prostaglandin G/H synthase 2 ChEMBL. 11906292
IC50 (binding) = 0.02 uM Inhibition of human purified Prostaglandin G/H synthase 2 ChEMBL. 11906292
IC50 (binding) = 0.024 uM In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme ChEMBL. 11738574
IC50 (binding) = 0.024 uM In vitro inhibitory activity of the compound towards human recombinant Prostaglandin G/H synthase 2 enzyme ChEMBL. 11738574
IC50 (binding) = 4.7 uM In vitro inhibitory activity of the compound towards human platelet recombinant Prostaglandin G/H synthase 1 ChEMBL. 11738574
IC50 (binding) = 4.7 uM In vitro inhibitory activity of the compound towards human platelet recombinant Prostaglandin G/H synthase 1 ChEMBL. 11738574
IC50 (binding) = 5 uM Inhibition of human purified Prostaglandin G/H synthase 1 ChEMBL. 11906292
IC50 (binding) = 5 uM Inhibition of human purified Prostaglandin G/H synthase 1 ChEMBL. 11906292
Ratio (binding) = 250 Selectivity ratio for COX-1 over COX-2 ChEMBL. 11906292
Ratio (binding) = 250 Selectivity ratio for COX-1 over COX-2 ChEMBL. 11906292

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

2 literature references were collected for this gene.

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