Detailed information for compound 426263

Basic information

Technical information
  • TDR Targets ID: 426263
  • Name: (5R)-3-[3-fluoro-4-[4-(4-fluorobenzoyl)pipera zin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-o xazolidin-2-one
  • MW: 468.456 | Formula: C23H22F2N6O3
  • H donors: 0 H acceptors: 4 LogP: 2.17 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)Cn1nncc1
  • InChi: 1S/C23H22F2N6O3/c24-17-3-1-16(2-4-17)22(32)29-11-9-28(10-12-29)21-6-5-18(13-20(21)25)31-15-19(34-23(31)33)14-30-8-7-26-27-30/h1-8,13,19H,9-12,14-15H2/t19-/m0/s1
  • InChiKey: GSCYRFQSZLEHEL-IBGZPJMESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R)-3-[3-fluoro-4-[4-(4-fluorobenzoyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)oxazolidin-2-one
  • (5R)-3-[3-fluoro-4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-5-(1-triazolylmethyl)-2-oxazolidinone
  • (5R)-3-[3-fluoro-4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-5-(1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
  • (5R)-3-[3-fluoro-4-[4-(4-fluorobenzoyl)piperazino]phenyl]-5-(triazol-1-ylmethyl)oxazolidin-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
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0196 0.5
Schistosoma mansoni hypothetical protein 0.0202 0.6895 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0196 0.0284
Leishmania major hypothetical protein, conserved 0.003 0.0606 1
Brugia malayi hypothetical protein 0.003 0.0606 0.0418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1501 0.2178
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0606 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0196 0.0284
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1501 0.1332
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0606 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0606 0.0584
Entamoeba histolytica hypothetical protein 0.0043 0.1076 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1076 0.156
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1501 0.2178
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0196 0.0284
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1076 0.156
Entamoeba histolytica hypothetical protein 0.0043 0.1076 0.5
Brugia malayi hypothetical protein 0.0019 0.0217 0.0021
Brugia malayi hypothetical protein 0.0043 0.1076 0.0897
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1501 0.2178
Entamoeba histolytica hypothetical protein 0.0043 0.1076 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1501 0.2178
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0196 0.0284
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1501 0.1332
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0606 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0196 0.0284
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0196 0.0284
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0196 0.0284
Echinococcus multilocularis geminin 0.0202 0.6895 1
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0211 0.7218 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1501 0.2178
Schistosoma mansoni hypothetical protein 0.0202 0.6895 1
Onchocerca volvulus 0.0287 1 0.5
Echinococcus granulosus geminin 0.0202 0.6895 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1076 0.156
Entamoeba histolytica hypothetical protein 0.0043 0.1076 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1501 0.2178
Loa Loa (eye worm) pax transcription factor protein 2 0.0287 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0606 1
Schistosoma mansoni hypothetical protein 0.0043 0.1076 0.156
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0606 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0606 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1501 0.2178
Loa Loa (eye worm) hypothetical protein 0.003 0.0606 0.0418

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.5 ug ml-1 Antimicrobial activity against methicillin-susceptible Staphylococcus aureus by agar dilution method ChEMBL. 17140706
MIC (functional) = 0.5 ug ml-1 Antimicrobial activity against methicillin-resistant Staphylococcus aureus by agar dilution method ChEMBL. 17140706
MIC (functional) = 0.5 ug ml-1 Antimicrobial activity against methicillin-susceptible coagulase-negative staphylococcus by agar dilution method ChEMBL. 17140706
MIC (functional) = 0.5 ug ml-1 Antimicrobial activity against methicillin-resistant coagulase-negative Staphylococcus by agar dilution method ChEMBL. 17140706
MIC (functional) = 0.5 ug ml-1 Antimicrobial activity against Streptococcus pneumoniae by agar dilution method ChEMBL. 17140706
MIC (functional) = 0.5 ug ml-1 Antimicrobial activity against vancomycin-resistant Enterococcus by agar dilution method ChEMBL. 17140706
MIC (functional) = 1 ug ml-1 Antimicrobial activity against Staphylococcus aureus ATCC 25922 by agar dilution method ChEMBL. 17140706
MIC (functional) = 1 ug ml-1 Antimicrobial activity against vancomycin-sensitive Enterococcus by agar dilution method ChEMBL. 17140706
MIC (functional) = 4 ug ml-1 Antimicrobial activity against Staphylococcus aureus ATCC 25922 in presence of 50% human plasma by agar dilution method ChEMBL. 17140706
MIC (functional) >= 8 ug ml-1 Antimicrobial avtivity against Haemophilus influenzae ChEMBL. 17140706
MIC (functional) >= 8 ug ml-1 Antimicrobial activity against Moraxella catarrhalis ChEMBL. 17140706
MIC (functional) >= 8 ug ml-1 Antimicrobial activity against Escherichia coli ATCC 25922 ChEMBL. 17140706
MIC (functional) >= 8 ug ml-1 Antimicrobial activity against Escherichia coli ATCC 25922 ChEMBL. 17140706

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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