Detailed information for compound 836069

Basic information

Technical information
  • TDR Targets ID: 836069
  • Name: 2-[(4-chlorophenyl)methyl]-4-diethoxyphosphor yl-N-[2-(4-methoxyphenyl)ethyl]-1,3-oxazol-5- amine
  • MW: 478.906 | Formula: C23H28ClN2O5P
  • H donors: 1 H acceptors: 2 LogP: 5.89 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(c1nc(oc1NCCc1ccc(cc1)OC)Cc1ccc(cc1)Cl)OCC
  • InChi: 1S/C23H28ClN2O5P/c1-4-29-32(27,30-5-2)23-22(25-15-14-17-8-12-20(28-3)13-9-17)31-21(26-23)16-18-6-10-19(24)11-7-18/h6-13,25H,4-5,14-16H2,1-3H3
  • InChiKey: LMTOXPOXATYDBG-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(4-chlorophenyl)methyl]-4-diethoxyphosphoryl-N-[2-(4-methoxyphenyl)ethyl]oxazol-5-amine
  • 2-[(4-chlorophenyl)methyl]-4-diethoxyphosphoryl-N-[2-(4-methoxyphenyl)ethyl]-5-oxazolamine
  • [2-(4-chlorobenzyl)-4-diethoxyphosphoryl-oxazol-5-yl]-[2-(4-methoxyphenyl)ethyl]amine

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 glutamyl-tRNA(Gln) amidotransferase subunit A 0.0013 0.054 0.0558
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0013 0.054 0.0541
Loa Loa (eye worm) amidase 0.0013 0.054 0.0792
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0013 0.054 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.011 0.6815 0.6826
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0013 0.054 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0013 0.054 0.5
Leishmania major hypothetical protein, conserved 0.0013 0.054 0.5
Schistosoma mansoni amidase 0.011 0.6815 0.7041
Echinococcus granulosus transient receptor potential cation channel 0.016 0.9985 1
Mycobacterium ulcerans amidase 0.0013 0.054 0.5
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0013 0.054 0.5
Brugia malayi Amidase family protein 0.0013 0.054 0.0792
Mycobacterium ulcerans amidase 0.0013 0.054 0.5
Schistosoma mansoni fatty-acid amide hydrolase 0.0013 0.054 0.0558
Echinococcus multilocularis fatty acid amide hydrolase 1 0.011 0.6815 0.6815
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0013 0.054 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0013 0.054 0.054
Mycobacterium ulcerans amidase 0.0013 0.054 0.5
Loa Loa (eye worm) amidase 0.0013 0.054 0.0792
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0013 0.054 0.5
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0013 0.054 0.5
Echinococcus multilocularis transient receptor potential cation channel 0.0005 0.00000010487 0.00000010487
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0013 0.054 0.054
Echinococcus multilocularis fatty acid amide hydrolase 1 0.011 0.6815 0.6815
Trypanosoma cruzi amidase, putative 0.0013 0.054 0.5
Mycobacterium ulcerans amidase 0.0013 0.054 0.5
Echinococcus multilocularis ankyrin repeat protein 0.0155 0.9679 0.9679
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0013 0.054 0.5
Brugia malayi Amidase family protein 0.0013 0.054 0.0792
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0013 0.054 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.011 0.6815 0.6826
Schistosoma mansoni transient receptor potential cation channel subfamily A member 0.0155 0.9679 1
Schistosoma mansoni fatty-acid amide hydrolase 0.011 0.6815 0.7041
Echinococcus granulosus ankyrin repeat protein 0.0155 0.9679 0.9694
Mycobacterium ulcerans amidase 0.0013 0.054 0.5
Mycobacterium ulcerans peptide amidase, GatA 0.0013 0.054 0.5
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0013 0.054 0.5
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0013 0.054 0.5
Brugia malayi amidase 0.011 0.6815 1
Brugia malayi putative amidase 0.0013 0.054 0.0792
Loa Loa (eye worm) hypothetical protein 0.011 0.6815 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0013 0.054 0.0541
Echinococcus granulosus transient receptor potential cation channel 0.0005 0.00000010487 0.00000010503
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0013 0.054 0.5
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0013 0.054 0.5
Trypanosoma cruzi amidase, putative 0.0013 0.054 0.5
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0013 0.054 0.5

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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