Detailed information for compound 433653

Basic information

Technical information
  • TDR Targets ID: 433653
  • Name: (5R)-3-[3-fluoro-4-[6-(2-piperidin-4-ylacetyl )pyridin-3-yl]phenyl]-5-(triazol-1-ylmethyl)- 1,3-oxazolidin-2-one
  • MW: 464.492 | Formula: C24H25FN6O3
  • H donors: 1 H acceptors: 5 LogP: 1.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1O[C@H](CN1c1ccc(c(c1)F)c1ccc(nc1)C(=O)CC1CCNCC1)Cn1nncc1
  • InChi: 1S/C24H25FN6O3/c25-21-12-18(31-15-19(34-24(31)33)14-30-10-9-28-29-30)2-3-20(21)17-1-4-22(27-13-17)23(32)11-16-5-7-26-8-6-16/h1-4,9-10,12-13,16,19,26H,5-8,11,14-15H2/t19-/m0/s1
  • InChiKey: RGVKJPIMWPUCPK-IBGZPJMESA-N  


Substructure search Similarity search

Network

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Synonyms

  • (5R)-3-[3-fluoro-4-[6-[2-(4-piperidyl)acetyl]-3-pyridyl]phenyl]-5-(triazol-1-ylmethyl)oxazolidin-2-one
  • (5R)-3-[3-fluoro-4-[6-[1-oxo-2-(4-piperidinyl)ethyl]-3-pyridyl]phenyl]-5-(1-triazolylmethyl)-2-oxazolidinone
  • (5R)-3-[3-fluoro-4-[6-(2-piperidin-4-ylethanoyl)pyridin-3-yl]phenyl]-5-(1,2,3-triazol-1-ylmethyl)-1,3-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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0351 0.0472 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0222 0.0073 0.0239
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0351 0.0472 0.1534
Toxoplasma gondii target of rapamycin (TOR), putative 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0221 0.007 0.1478
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0351 0.0472 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.029 0.0282 0.5969
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Giardia lamblia GTOR 0.0351 0.0472 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trypanosoma cruzi hypothetical protein, conserved 0.1197 0.3077 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.0073 0.1556
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Loa Loa (eye worm) hypothetical protein 0.0221 0.007 0.1478
Echinococcus multilocularis serine protein kinase ATM 0.029 0.0282 0.0282
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0351 0.0472 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0351 0.0472 0.1534
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.029 0.0282 0.5969
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0351 0.0472 0.0472
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0351 0.0472 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0351 0.0472 0.1534
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.029 0.0282 0.0916
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0351 0.0472 0.1534
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.029 0.0282 0.5969
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0351 0.0472 0.1534
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0351 0.0472 0.0472
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Entamoeba histolytica hypothetical protein 0.029 0.0282 0.5969
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.3444 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0221 0.007 0.1478
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0351 0.0472 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0351 0.0472 0.0472
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0351 0.0472 1
Toxoplasma gondii FATC domain-containing protein 0.029 0.0282 0.527
Leishmania major hypothetical protein, conserved 0.1265 0.3285 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.029 0.0282 0.527
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0351 0.0472 0.0472
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1
Echinococcus granulosus serine protein kinase ATM 0.029 0.0282 0.0282
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0351 0.0472 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0351 0.0472 1

Activities

Activity type Activity value Assay description Source Reference
AUC (ADMET) = 0.8 ug.hr/ml AUC in Wistar rat at 10 mg/kg, iv ChEMBL. 17722903
CL (ADMET) = 196 ml/min.kg Clearance in Wistar rat at 10 mg/kg, iv ChEMBL. 17722903
F (ADMET) 0 Oral bioavailability in Wistar rat at 10 mg/kg, po ChEMBL. 17722903
Ki (binding) = 28 uM Inhibition of human liver MAOA expressed in yeast ChEMBL. 17722903
Ki (binding) = 28 uM Inhibition of human liver MAOA expressed in yeast ChEMBL. 17722903
MIC (functional) = 0.13 ug ml-1 Antibacterial activity against penicillin-susceptible Streptococcus pneumoniae AP671401 ChEMBL. 17722903
MIC (functional) = 0.5 ug ml-1 Antibacterial activity against linezolid-resistant Streptococcus pneumoniae ChEMBL. 17722903
MIC (functional) = 1 ug ml-1 Antibacterial activity against methicillin-susceptible Staphylococcus aureus AP601055 ChEMBL. 17722903
MIC (functional) = 8 ug ml-1 Antibacterial activity against Haemophilius influenzae ATCC51907 ChEMBL. 17722903
PPB (ADMET) 0 Protein binding in human plasma ChEMBL. 17722903
Solubility > 400 uM Solubility by nephelometric analysis ChEMBL. 17722903
t1/2 (ADMET) = 2.4 hr Half life in Wistar rat at 10 mg/kg, iv ChEMBL. 17722903
Vdss (ADMET) = 15 L/Kg Volume of distribution in Wistar rat at 10 mg/kg, iv ChEMBL. 17722903

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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