Detailed information for compound 829727

Basic information

Technical information
  • TDR Targets ID: 829727
  • Name: N-[(2-chlorophenyl)methyl]-4-diethoxyphosphor yl-2-(4-nitrophenyl)-1,3-oxazol-5-amine
  • MW: 465.824 | Formula: C20H21ClN3O6P
  • H donors: 1 H acceptors: 4 LogP: 5 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOP(=O)(c1nc(oc1NCc1ccccc1Cl)c1ccc(cc1)[N+](=O)[O-])OCC
  • InChi: 1S/C20H21ClN3O6P/c1-3-28-31(27,29-4-2)20-19(22-13-15-7-5-6-8-17(15)21)30-18(23-20)14-9-11-16(12-10-14)24(25)26/h5-12,22H,3-4,13H2,1-2H3
  • InChiKey: YBOYOSSYBJVRIK-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[(2-chlorophenyl)methyl]-4-diethoxyphosphoryl-2-(4-nitrophenyl)oxazol-5-amine
  • N-[(2-chlorophenyl)methyl]-4-diethoxyphosphoryl-2-(4-nitrophenyl)-5-oxazolamine
  • (2-chlorobenzyl)-[4-diethoxyphosphoryl-2-(4-nitrophenyl)oxazol-5-yl]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
Trypanosoma brucei proteasome beta 6 subunit 0.0072 0.1731 0.627
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0093 0.2761 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0093 0.2761 1
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0093 0.2761 1
Echinococcus granulosus proteasome prosome macropain 0.0093 0.2761 1
Leishmania major proteasome beta 2 subunit, putative 0.0045 0.0367 0.1328
Giardia lamblia Proteasome subunit beta type 1 0.0072 0.1731 0.5699
Toxoplasma gondii proteasome subunit beta type 1, putative 0.0072 0.1731 0.627
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0072 0.1731 0.627
Brugia malayi Proteasome A-type and B-type family protein 0.0093 0.2761 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0072 0.1731 0.627
Brugia malayi proteasome subunit beta type 1 0.0072 0.1731 0.627
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0093 0.2761 1
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0072 0.1731 0.627
Onchocerca volvulus 0.0037 0 0.5
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0045 0.0367 0.1328
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0045 0.0367 0.1328
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0072 0.1731 0.627
Trypanosoma cruzi 20S proteasome subunit 0.0045 0.0367 0.1328
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0714 0.2585
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0093 0.2761 0.2761
Leishmania major proteasome beta 6 subunit, putative,20S proteasome beta 6 subunit, putative 0.0072 0.1731 0.627
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0045 0.0367 0.1328
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0045 0.0367 0.1328
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0714 0.2585
Toxoplasma gondii proteasome subunit beta type 2, putative 0.0045 0.0367 0.1328
Leishmania major proteasome beta 5 subunit, putative 0.0093 0.2761 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0714 0.2585
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0093 0.2761 1
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0045 0.0367 0.1328
Trypanosoma cruzi proteasome subunit beta type-2, putative 0.0045 0.0367 0.1328
Plasmodium vivax proteasome subunit beta type-2, putative 0.0045 0.0367 0.1328
Echinococcus multilocularis proteasome (prosome, macropain) 0.0093 0.2761 1
Plasmodium falciparum proteasome subunit beta type-1, putative 0.0072 0.1731 0.5699
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0045 0.0367 0.1328
Plasmodium falciparum proteasome subunit beta type-5 0.0093 0.2761 1
Loa Loa (eye worm) proteasome subunit beta type 2 0.0045 0.0367 0.1328
Onchocerca volvulus 0.0037 0 0.5
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0093 0.2761 1
Entamoeba histolytica proteasome subunit beta type 1, putative 0.0072 0.1731 0.5699
Plasmodium vivax proteasome subunit beta type-5, putative 0.0093 0.2761 1
Trypanosoma cruzi proteasome beta 6 subunit, putative 0.0072 0.1731 0.627
Loa Loa (eye worm) proteasome subunit beta type 1 0.0072 0.1731 0.627
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0093 0.2761 1
Trypanosoma brucei proteasome subunit beta type-2, putative 0.0045 0.0367 0.1328
Brugia malayi proteasome subunit beta type 2 0.0045 0.0367 0.1328
Mycobacterium ulcerans proteasome PrcB 0.0093 0.2761 1
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0093 0.2761 1
Onchocerca volvulus 0.0037 0 0.5
Toxoplasma gondii proteasome subunit beta type, putative 0.0093 0.2761 1
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0093 0.2761 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0714 0.2585
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0072 0.1731 0.627
Plasmodium vivax proteasome subunit beta type-1, putative 0.0072 0.1731 0.627

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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