Detailed information for compound 1658800

Basic information

Technical information
  • TDR Targets ID: 1658800
  • Name: N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]- 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
  • MW: 310.751 | Formula: C15H16ClFN2O2
  • H donors: 1 H acceptors: 2 LogP: 2.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cc1c(C)noc1C)NCc1c(F)ccc(c1Cl)C
  • InChi: 1S/C15H16ClFN2O2/c1-8-4-5-13(17)12(15(8)16)7-18-14(20)6-11-9(2)19-21-10(11)3/h4-5H,6-7H2,1-3H3,(H,18,20)
  • InChiKey: MBOIELVIFVUSKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-chloro-6-fluoro-3-methyl-phenyl)methyl]-2-(3,5-dimethylisoxazol-4-yl)acetamide
  • N-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-2-(3,5-dimethyl-4-isoxazolyl)acetamide
  • N-(2-chloro-6-fluoro-3-methyl-benzyl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
  • N-[(2-chloro-6-fluoro-3-methyl-phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purinergic receptor P2X, ligand-gated ion channel, 7 Starlite/ChEMBL No 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
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0083 0.547 0.7381
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.1849 0.1849
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1323 0.2419
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.5346 0.7161
Schistosoma mansoni P2X receptor subunit 0.0082 0.5346 0.9774
Brugia malayi TAR-binding protein 0.0065 0.337 0.337
Schistosoma mansoni hypothetical protein 0.0083 0.547 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1323 0.1323
Schistosoma mansoni tar DNA-binding protein 0.0065 0.337 0.6161
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0083 0.547 0.7381
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.5346 0.7161
Schistosoma mansoni P2X receptor subunit 0.0082 0.5346 0.9774
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1323 0.2419
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.1578 0.5
Loa Loa (eye worm) apoptosis regulator protein 0.0083 0.547 0.547
Schistosoma mansoni tar DNA-binding protein 0.0065 0.337 0.6161
Echinococcus granulosus serine:threonine protein kinase:endoribonuclease 0.0096 0.6941 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0083 0.547 1
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.5346 0.7161
Schistosoma mansoni tar DNA-binding protein 0.0065 0.337 0.6161
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.5346 0.7161
Entamoeba histolytica protein kinase, putative 0.0096 0.6941 0.5
Loa Loa (eye worm) TAR-binding protein 0.0065 0.337 0.337
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.5346 0.7161
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1323 0.2419
Schistosoma mansoni tar DNA-binding protein 0.0065 0.337 0.6161
Trichomonas vaginalis serine threonine-protein kinase, putative 0.0049 0.1578 0.5
Schistosoma mansoni P2X receptor subunit 0.0082 0.5346 0.9774
Schistosoma mansoni P2X receptor subunit 0.0082 0.5346 0.9774
Loa Loa (eye worm) transcription factor SMAD2 0.0123 1 1
Loa Loa (eye worm) RNA binding protein 0.0065 0.337 0.337
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1323 0.1323
Brugia malayi Ribonuclease 2-5A family protein 0.0096 0.6941 0.6941
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.5346 0.7161
Echinococcus multilocularis tar DNA binding protein 0.0065 0.337 0.3643
Echinococcus multilocularis serine:threonine protein kinase:endoribonuclease 0.0096 0.6941 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 1 1
Schistosoma mansoni hypothetical protein 0.0083 0.547 1
Entamoeba histolytica protein kinase, putative 0.0096 0.6941 0.5
Loa Loa (eye worm) IRE protein kinase 0.0096 0.6941 0.6941
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0083 0.547 0.7381
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0083 0.547 0.547
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.1849 0.1849
Schistosoma mansoni hypothetical protein 0.0083 0.547 1
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.1612 0.2947
Loa Loa (eye worm) hypothetical protein 0.0051 0.1849 0.1849
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.337 0.337
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.1849 0.1849
Loa Loa (eye worm) hypothetical protein 0.0083 0.547 0.547
Schistosoma mansoni apoptosis regulator bax 0.0083 0.547 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.337 0.6161
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0083 0.547 0.7381
Echinococcus granulosus tar DNA binding protein 0.0065 0.337 0.3643
Brugia malayi RNA binding protein 0.0065 0.337 0.337
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.337 0.337

Activities

No activities found for this compound.

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

No literature references available for this target.

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