Detailed information for compound 1543472

Basic information

Technical information
  • TDR Targets ID: 1543472
  • Name: [2-[(2,5-diethoxy-4-morpholin-4-ylphenyl)amin o]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-car boxylate
  • MW: 447.482 | Formula: C22H29N3O7
  • H donors: 1 H acceptors: 3 LogP: 2.35 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(N2CCOCC2)c(cc1NC(=O)COC(=O)c1c(C)noc1C)OCC
  • InChi: 1S/C22H29N3O7/c1-5-29-18-12-17(25-7-9-28-10-8-25)19(30-6-2)11-16(18)23-20(26)13-31-22(27)21-14(3)24-32-15(21)4/h11-12H,5-10,13H2,1-4H3,(H,23,26)
  • InChiKey: OLAUDDYFXCTHKW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-oxo-ethyl] 3,5-dimethylisoxazole-4-carboxylate
  • 3,5-dimethyl-4-isoxazolecarboxylic acid [2-[(2,5-diethoxy-4-morpholinophenyl)amino]-2-oxoethyl] ester
  • 3,5-dimethylisoxazole-4-carboxylic acid [2-[(2,5-diethoxy-4-morpholino-phenyl)amino]-2-keto-ethyl] ester
  • [2-[(2,5-diethoxy-4-morpholin-4-yl-phenyl)amino]-2-oxo-ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
  • T5403989

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 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
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0071 0.1082 0.1082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1691 0.6693
Loa Loa (eye worm) hypothetical protein 0.0474 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0227 0.0897
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0071 0.1082 0.4284
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2526 1
Loa Loa (eye worm) hypothetical protein 0.0474 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0193 0.5
Echinococcus multilocularis tar DNA binding protein 0.0136 0.2526 1
Onchocerca volvulus 0.0254 0.5125 0.5125
Brugia malayi Pre-SET motif family protein 0.0223 0.4445 0.4445
Brugia malayi RNA binding protein 0.0136 0.2526 0.2526
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0032 0.0227 0.0897
Brugia malayi TAR-binding protein 0.0136 0.2526 0.2526
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2526 1
Brugia malayi hypothetical protein 0.003 0.0193 0.0193
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0071 0.1082 0.4284
Loa Loa (eye worm) hypothetical protein 0.0032 0.0227 0.0227
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0424 0.168
Plasmodium vivax SET domain protein, putative 0.0032 0.0227 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0201 0.0794
Loa Loa (eye worm) TAR-binding protein 0.0136 0.2526 0.2526
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2526 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0071 0.1082 0.1082
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0071 0.1082 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1082 1
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2526 1
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0424 0.168
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0227 0.0897
Loa Loa (eye worm) RNA binding protein 0.0136 0.2526 0.2526
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0227 0.0897
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1082 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1691 0.6693
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1691 0.6693
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.2526 0.2526
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1691 0.6693
Loa Loa (eye worm) runx1 0.006 0.0835 0.0835
Echinococcus granulosus tar DNA binding protein 0.0136 0.2526 1
Onchocerca volvulus 0.0032 0.0227 0.0227
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0227 0.0897
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.1691 0.1691
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.2526 0.2526
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0227 1
Schistosoma mansoni lozenge 0.006 0.0835 0.3305
Brugia malayi Pre-SET motif family protein 0.0032 0.0227 0.0227
Trichomonas vaginalis set domain proteins, putative 0.0254 0.5125 0.5
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0071 0.1082 0.4284
Schistosoma mansoni tar DNA-binding protein 0.0136 0.2526 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1691 0.6693
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1691 0.6693
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0071 0.1082 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1691 0.6693
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0227 0.0897
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0223 0.4445 0.4445
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0193 0.5
Echinococcus multilocularis Protein lozenge 0.006 0.0835 0.3305
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0071 0.1082 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0227 0.0897
Onchocerca volvulus 0.0474 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0193 0.0193
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.1691 0.1691

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

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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