Detailed information for compound 214604

Basic information

Technical information
  • TDR Targets ID: 214604
  • Name: N-[[(5S)-3-[4-[4-(4,6-dimethoxy-1,3,5-triazin -2-yl)piperazin-1-yl]-3-fluorophenyl]-2-oxo-1 ,3-oxazolidin-5-yl]methyl]acetamide
  • MW: 475.473 | Formula: C21H26FN7O5
  • H donors: 1 H acceptors: 5 LogP: 1.65 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1nc(nc(n1)OC)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C
  • InChi: 1S/C21H26FN7O5/c1-13(30)23-11-15-12-29(21(31)34-15)14-4-5-17(16(22)10-14)27-6-8-28(9-7-27)18-24-19(32-2)26-20(25-18)33-3/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,23,30)/t15-/m0/s1
  • InChiKey: AKSNVYKAQZFPON-HNNXBMFYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[[(5S)-3-[4-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
  • N-[[(5S)-3-[4-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-piperazinyl]-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
  • N-[[(5S)-3-[4-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-fluoro-phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanamide
  • N-[[(5S)-3-[4-[4-(4,6-dimethoxy-s-triazin-2-yl)piperazino]-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]acetamide
  • N-[[(5S)-3-[4-[4-(4,6-dimethoxy-s-triazin-2-yl)piperazin-1-yl]-3-fluoro-phenyl]-2-keto-oxazolidin-5-yl]methyl]acetamide

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 sodium/chloride dependent transporter 0.0329 0.1069 0.1069
Loa Loa (eye worm) hypothetical protein 0.0857 0.3998 0.3998
Loa Loa (eye worm) hypothetical protein 0.0329 0.1069 0.1069
Loa Loa (eye worm) hypothetical protein 0.1939 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0329 0.1069 0.1069
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0329 0.1069 0.1069
Loa Loa (eye worm) hypothetical protein 0.0329 0.1069 0.1069
Toxoplasma gondii hypothetical protein 0.0329 0.1069 1
Loa Loa (eye worm) hypothetical protein 0.0357 0.1224 0.1224
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0329 0.1069 0.1069
Plasmodium vivax amine transporter, putative 0.0329 0.1069 1
Loa Loa (eye worm) hypothetical protein 0.0329 0.1069 0.1069
Loa Loa (eye worm) hypothetical protein 0.0183 0.0255 0.0255
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1939 1 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0329 0.1069 0.1069
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0329 0.1069 0.1069
Echinococcus granulosus kinesin family 1 0.105 0.5071 0.4481
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0329 0.1069 0.5
Loa Loa (eye worm) hypothetical protein 0.0329 0.1069 0.1069
Loa Loa (eye worm) solute carrier family 6 member 4 0.1939 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0329 0.1069 0.1069
Brugia malayi NNMT/PNMT/TEMT family protein 0.0857 0.3998 0.3998
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0329 0.1069 0.1069
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0329 0.1069 0.1069
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0329 0.1069 1
Loa Loa (eye worm) hypothetical protein 0.0329 0.1069 0.1069
Giardia lamblia Kinesin-5 0.0136 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0857 0.3998 0.3998
Echinococcus multilocularis kinesin family 1 0.105 0.5071 0.4481
Schistosoma mansoni sodium/chloride dependent transporter 0.0329 0.1069 0.1069
Schistosoma mansoni hypothetical protein 0.0914 0.4313 0.4313
Echinococcus multilocularis serotonin transporter 0.1939 1 1
Entamoeba histolytica kinesin, putative 0.0136 0 0.5
Loa Loa (eye worm) hypothetical protein 0.1939 1 1
Loa Loa (eye worm) serotonin transporter b 0.1939 1 1
Loa Loa (eye worm) norepinephrine transporter 0.1939 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0329 0.1069 0.1069
Schistosoma mansoni sodium/chloride dependent transporter 0.1939 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0329 0.1069 0.1069
Trypanosoma brucei C-8 sterol isomerase, putative 0.0357 0.1224 0.5
Loa Loa (eye worm) hypothetical protein 0.0329 0.1069 0.1069
Leishmania major C-8 sterol isomerase-like protein 0.0357 0.1224 0.5
Brugia malayi hypothetical protein 0.0329 0.1069 0.1069
Onchocerca volvulus 0.1939 1 1
Toxoplasma gondii hypothetical protein 0.0329 0.1069 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0357 0.1224 0.1224
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0329 0.1069 0.1069
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0329 0.1069 0.1069
Loa Loa (eye worm) hypothetical protein 0.0329 0.1069 0.1069
Echinococcus granulosus serotonin transporter 0.1939 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0329 0.1069 1
Plasmodium falciparum transporter, putative 0.0329 0.1069 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0329 0.1069 0.1069
Plasmodium falciparum amino acid transporter, putative 0.0329 0.1069 1
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0857 0.3998 0.3998
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0329 0.1069 1
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0329 0.1069 0.1069
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0357 0.1224 0.5
Treponema pallidum sodium- and chloride- dependent transporter 0.1939 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1939 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0329 0.1069 0.1069
Plasmodium vivax hypothetical protein, conserved 0.0329 0.1069 1

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 0.5 ug ml-1 Minimum inhibitory concentration Streptococcus pneumoniae UC9912 ChEMBL. 9733498
MIC (functional) = 1 ug ml-1 Minimum inhibitory concentration against Staphylococcus epidermis UC12084 ChEMBL. 9733498
MIC (functional) = 1 ug ml-1 Minimum inhibitory concentration against Enterococcus faecalis UC9217 ChEMBL. 9733498
MIC (functional) = 2 ug ml-1 Minimum inhibitory concentration against Staphylococcus aureus UC6685 ChEMBL. 9733498
MIC (functional) = 4 ug ml-1 Minimum inhibitory concentration against Staphylococcus aureus UC9213 ChEMBL. 9733498

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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